2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine

C18H23N5O2 — CID 4644268

IUPAC2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H23N5O2/c1-13-16(23(24)25)17(22(2)15-11-7-4-8-12-15)21-18(19-13)20-14-9-5-3-6-10-14/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H,19,20,21)
InChIKeyMNHZEGAOVXKRRW-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.21
Rot. Bonds5

About 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine

2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 4644268) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
PubChem CID4644268
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H23N5O2/c1-13-16(23(24)25)17(22(2)15-11-7-4-8-12-15)21-18(19-13)20-14-9-5-3-6-10-14/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H,19,20,21)
InChIKeyMNHZEGAOVXKRRW-UHFFFAOYSA-N
XLogP4.21
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,6-dimethyl-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 3122465
2-N-(4-iodophenyl)-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
CID 4298093
2-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine
CID 23938396
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
(E)-3-[3-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]phenyl]prop-2-enoate
CID 7452741
4-bromo-2-[[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 3095794
4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine
CID 10785195
N-methyl-5-nitro-N-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 23489359
4-[2-(cyclopentylamino)-6-methyl-5-nitropyrimidin-4-yl]-2-oxobutanal
CID 174424261
4-N,4-N-dibenzyl-6-N-cycloheptyl-5-nitropyrimidine-4,6-diamine
CID 23488429
2-amino-4-(N-methylanilino)-5-nitro-1H-pyrimidin-6-one
CID 136650976

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine (CID 4644268) is 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine is Cc1nc(NC2CCCCC2)nc(N(C)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is MNHZEGAOVXKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-16(23(24)25)17(22(2)15-11-7-4-8-12-15)21-18(19-13)20-14-9-5-3-6-10-14/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 341.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 4644268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).