acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide

C26H38N4O3 — CID 156742926

IUPACacetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide
SMILESC#C.CC1(O)Cc2ccccc2[C@H]1NC=O.CCC1(CC)CC(=O)N(C[C@H]2CC2C)C(N)=N1
InChIInChI=1S/C13H23N3O.C11H13NO2.C2H2/c1-4-13(5-2)7-11(17)16(12(14)15-13)8-10-6-9(10)3;1-11(14)6-8-4-2-3-5-9(8)10(11)12-7-13;1-2/h9-10H,4-8H2,1-3H3,(H2,14,15);2-5,7,10,14H,6H2,1H3,(H,12,13);1-2H/t9?,10-;10-,11?;/m11./s1
InChIKeySMBJNIDQZMEFTD-MXNMPAGMSA-N
MW454.62 g/mol
LogP2.78
Rot. Bonds6

About acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide

acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide (PubChem CID 156742926) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide.

Molecular Properties

Compound Nameacetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide
PubChem CID156742926
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Nameacetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide
SMILESC#C.CC1(O)Cc2ccccc2[C@H]1NC=O.CCC1(CC)CC(=O)N(C[C@H]2CC2C)C(N)=N1
InChIInChI=1S/C13H23N3O.C11H13NO2.C2H2/c1-4-13(5-2)7-11(17)16(12(14)15-13)8-10-6-9(10)3;1-11(14)6-8-4-2-3-5-9(8)10(11)12-7-13;1-2/h9-10H,4-8H2,1-3H3,(H2,14,15);2-5,7,10,14H,6H2,1H3,(H,12,13);1-2H/t9?,10-;10-,11?;/m11./s1
InChIKeySMBJNIDQZMEFTD-MXNMPAGMSA-N
XLogP2.78
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 164864792
3-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)ethyl]-N-[(1R,2R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]benzamide
CID 170158652
trans-(1R,2R)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylcyclopropane-1-carboxamide
CID 171442177
cis-(1S,2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442024
cis-(1R,2R)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 166591182
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 164864896
2-amino-6,6-diethyl-3-[(4R)-6-[hydroxy-[[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]amino]methyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5H-pyrimidin-4-one
CID 170377735
6-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 166705833
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 166705626
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 164864671
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-4-carboxamide
CID 166707503
4-[[3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-[3-fluoro-5-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)carbamoyl]phenyl]propoxy]methyl]-6-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 170264534

Frequently Asked Questions

What is the IUPAC name of acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide?
The IUPAC name of acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide (CID 156742926) is acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide.
What is the SMILES notation for acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide?
The canonical SMILES for acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide is C#C.CC1(O)Cc2ccccc2[C@H]1NC=O.CCC1(CC)CC(=O)N(C[C@H]2CC2C)C(N)=N1.
What is the InChIKey of acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide?
The InChIKey is SMBJNIDQZMEFTD-MXNMPAGMSA-N. The full InChI is InChI=1S/C13H23N3O.C11H13NO2.C2H2/c1-4-13(5-2)7-11(17)16(12(14)15-13)8-10-6-9(10)3;1-11(14)6-8-4-2-3-5-9(8)10(11)12-7-13;1-2/h9-10H,4-8H2,1-3H3,(H2,14,15);2-5,7,10,14H,6H2,1H3,(H,12,13);1-2H/t9?,10-;10-,11?;/m11./s1.
What are the key properties of acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide?
acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide has a molecular weight of 454.62 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide is sourced from PubChem (CID 156742926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).