N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine

C12H19N5 — CID 174558943

IUPACN-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine
SMILES[H]/N=C(\C[C@@H](C)NC)c1cc(NC2CC2)ncn1
InChIInChI=1S/C12H19N5/c1-8(14-2)5-10(13)11-6-12(16-7-15-11)17-9-3-4-9/h6-9,13-14H,3-5H2,1-2H3,(H,15,16,17)/b13-10+/t8-/m1/s1
InChIKeyWBMKAMPHIFCANP-JSGDOSECSA-N
MW233.32 g/mol
LogP1.42
Rot. Bonds6

About N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine

N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine (PubChem CID 174558943) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine
PubChem CID174558943
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine
SMILES[H]/N=C(\C[C@@H](C)NC)c1cc(NC2CC2)ncn1
InChIInChI=1S/C12H19N5/c1-8(14-2)5-10(13)11-6-12(16-7-15-11)17-9-3-4-9/h6-9,13-14H,3-5H2,1-2H3,(H,15,16,17)/b13-10+/t8-/m1/s1
InChIKeyWBMKAMPHIFCANP-JSGDOSECSA-N
XLogP1.42
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine 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

N-ethyl-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 139297423
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
CID 134069591
6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342983
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
6-(cyclopropylamino)-2-methylpyrimidine-4-carboximidamide
CID 130654858
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine (CID 174558943) is N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine is [H]/N=C(\C[C@@H](C)NC)c1cc(NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine?
The InChIKey is WBMKAMPHIFCANP-JSGDOSECSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(14-2)5-10(13)11-6-12(16-7-15-11)17-9-3-4-9/h6-9,13-14H,3-5H2,1-2H3,(H,15,16,17)/b13-10+/t8-/m1/s1.
What are the key properties of N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine?
N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine is sourced from PubChem (CID 174558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).