5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine

C19H25N5 — CID 144944091

IUPAC5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine
SMILES[H]/N=C(\c1ccccc1)c1cnc(NC)nc1NCC1CCCCC1
InChIInChI=1S/C19H25N5/c1-21-19-23-13-16(17(20)15-10-6-3-7-11-15)18(24-19)22-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,20H,2,4-5,8-9,12H2,1H3,(H2,21,22,23,24)/b20-17+
InChIKeyGBPZUOCDPUQPKY-LVZFUZTISA-N
MW323.44 g/mol
LogP3.93
Rot. Bonds6

About 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine

5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 144944091) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID144944091
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine
SMILES[H]/N=C(\c1ccccc1)c1cnc(NC)nc1NCC1CCCCC1
InChIInChI=1S/C19H25N5/c1-21-19-23-13-16(17(20)15-10-6-3-7-11-15)18(24-19)22-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,20H,2,4-5,8-9,12H2,1H3,(H2,21,22,23,24)/b20-17+
InChIKeyGBPZUOCDPUQPKY-LVZFUZTISA-N
XLogP3.93
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(cyclohexylmethyl)-2-N-(3-phenylpropyl)-5-(6-piperazin-1-ylpyridine-3-carboximidoyl)pyrimidine-2,4-diamine
CID 144944033
3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine
CID 142836541
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
CID 143150930
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-[2-(cyclohexen-1-yl)ethylamino]-4-(cyclohexylmethylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 45488985
N-(cyclohexylmethyl)-3-methylpyridin-2-amine
CID 60960481
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138447
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715

Frequently Asked Questions

What is the IUPAC name of 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine (CID 144944091) is 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine is [H]/N=C(\c1ccccc1)c1cnc(NC)nc1NCC1CCCCC1.
What is the InChIKey of 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is GBPZUOCDPUQPKY-LVZFUZTISA-N. The full InChI is InChI=1S/C19H25N5/c1-21-19-23-13-16(17(20)15-10-6-3-7-11-15)18(24-19)22-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,20H,2,4-5,8-9,12H2,1H3,(H2,21,22,23,24)/b20-17+.
What are the key properties of 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine?
5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 323.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 144944091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).