2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide

C24H36N4O3 — CID 164865168

IUPAC2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide
SMILESCC(C)C1(C)CC(NC=O)c2ccccc2O1.CC1(C)CC(=O)N(CC2CC2)C(N)=N1
InChIInChI=1S/C14H19NO2.C10H17N3O/c1-10(2)14(3)8-12(15-9-16)11-6-4-5-7-13(11)17-14;1-10(2)5-8(14)13(9(11)12-10)6-7-3-4-7/h4-7,9-10,12H,8H2,1-3H3,(H,15,16);7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyGTRFKKVYIDCGNI-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.39
Rot. Bonds5

About 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide

2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide (PubChem CID 164865168) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide.

Molecular Properties

Compound Name2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide
PubChem CID164865168
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide
SMILESCC(C)C1(C)CC(NC=O)c2ccccc2O1.CC1(C)CC(=O)N(CC2CC2)C(N)=N1
InChIInChI=1S/C14H19NO2.C10H17N3O/c1-10(2)14(3)8-12(15-9-16)11-6-4-5-7-13(11)17-14;1-10(2)5-8(14)13(9(11)12-10)6-7-3-4-7/h4-7,9-10,12H,8H2,1-3H3,(H,15,16);7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyGTRFKKVYIDCGNI-UHFFFAOYSA-N
XLogP3.39
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetylene;2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;ethane
CID 156742922
trans-(1S,2S)-2-[(S)-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442197
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2-cyclopropyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
CID 171442151
acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide;pyridine
CID 164865014
(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one
CID 164865049
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442162
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
2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 171442038
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442055
acetylene;2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)nitrous amide;(3Z)-penta-1,3-diene
CID 156742859
3-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-5-fluoro-N-[(3S,4S)-2,2,3-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 166705915
acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane
CID 164864935

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide?
The IUPAC name of 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide (CID 164865168) is 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide.
What is the SMILES notation for 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide?
The canonical SMILES for 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide is CC(C)C1(C)CC(NC=O)c2ccccc2O1.CC1(C)CC(=O)N(CC2CC2)C(N)=N1.
What is the InChIKey of 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide?
The InChIKey is GTRFKKVYIDCGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C10H17N3O/c1-10(2)14(3)8-12(15-9-16)11-6-4-5-7-13(11)17-14;1-10(2)5-8(14)13(9(11)12-10)6-7-3-4-7/h4-7,9-10,12H,8H2,1-3H3,(H,15,16);7H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide?
2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide has a molecular weight of 428.58 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide is sourced from PubChem (CID 164865168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).