2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine

C12H18ClN5 — CID 145224442

IUPAC2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine
SMILES[H]/N=C/c1nc(Cl)nc(NC2CCCCC2)c1NC
InChIInChI=1S/C12H18ClN5/c1-15-10-9(7-14)17-12(13)18-11(10)16-8-5-3-2-4-6-8/h7-8,14-15H,2-6H2,1H3,(H,16,17,18)/b14-7+
InChIKeySVVNMXSQBLHJGP-VGOFMYFVSA-N
MW267.76 g/mol
LogP2.91
Rot. Bonds4

About 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine

2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine (PubChem CID 145224442) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine
PubChem CID145224442
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine
SMILES[H]/N=C/c1nc(Cl)nc(NC2CCCCC2)c1NC
InChIInChI=1S/C12H18ClN5/c1-15-10-9(7-14)17-12(13)18-11(10)16-8-5-3-2-4-6-8/h7-8,14-15H,2-6H2,1H3,(H,16,17,18)/b14-7+
InChIKeySVVNMXSQBLHJGP-VGOFMYFVSA-N
XLogP2.91
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine 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

2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
2-chloro-N-cyclohexyl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268180
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 82460740
[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-[2-chloro-6-(cyclopentylamino)-5-methanimidoylpyrimidin-4-yl]azanium
CID 142446188
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 90287286
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319
2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
CID 143794618
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-chloro-N-cycloheptyl-7-methylpurin-6-amine
CID 82460223
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine (CID 145224442) is 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine is [H]/N=C/c1nc(Cl)nc(NC2CCCCC2)c1NC.
What is the InChIKey of 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine?
The InChIKey is SVVNMXSQBLHJGP-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-15-10-9(7-14)17-12(13)18-11(10)16-8-5-3-2-4-6-8/h7-8,14-15H,2-6H2,1H3,(H,16,17,18)/b14-7+.
What are the key properties of 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine?
2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine has a molecular weight of 267.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 145224442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).