4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one

C11H18N4O — CID 137008098

IUPAC4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCNC2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-10(7-11(16)14-8)15(2)6-5-12-9-3-4-9/h7,9,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyVDGMSLJHDSAZQJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds5

About 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one

4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137008098) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID137008098
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCNC2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-10(7-11(16)14-8)15(2)6-5-12-9-3-4-9/h7,9,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyVDGMSLJHDSAZQJ-UHFFFAOYSA-N
XLogP0.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one 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

4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136979021
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62770071
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957593
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 63206209
4-[2-(cyclopropylamino)ethyl]-6-methyl-1H-pyrimidin-2-one
CID 82469025
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957646
4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
3-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016024

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 137008098) is 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CCNC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VDGMSLJHDSAZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-13-10(7-11(16)14-8)15(2)6-5-12-9-3-4-9/h7,9,12H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).