4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine

C20H25N5O2 — CID 10785195

IUPAC4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(NC2CCCC2)nc(-c2ccccc2)nc1NC1CCCC1
InChIInChI=1S/C20H25N5O2/c26-25(27)17-19(21-15-10-4-5-11-15)23-18(14-8-2-1-3-9-14)24-20(17)22-16-12-6-7-13-16/h1-3,8-9,15-16H,4-7,10-13H2,(H2,21,22,23,24)
InChIKeyGNNUJKRLUGIONF-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.76
Rot. Bonds6

About 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine

4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine (PubChem CID 10785195) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine
PubChem CID10785195
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(NC2CCCC2)nc(-c2ccccc2)nc1NC1CCCC1
InChIInChI=1S/C20H25N5O2/c26-25(27)17-19(21-15-10-4-5-11-15)23-18(14-8-2-1-3-9-14)24-20(17)22-16-12-6-7-13-16/h1-3,8-9,15-16H,4-7,10-13H2,(H2,21,22,23,24)
InChIKeyGNNUJKRLUGIONF-UHFFFAOYSA-N
XLogP4.76
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
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-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
2-N-benzyl-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
CID 3764201
4-N-cyclopentyl-6-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480950
6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
CID 10546397
4-N-cyclopentyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531987
6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
CID 22532107
2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23487797
N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537071
4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528038
4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
CID 22525829
N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526883

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine (CID 10785195) is 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine is O=[N+]([O-])c1c(NC2CCCC2)nc(-c2ccccc2)nc1NC1CCCC1.
What is the InChIKey of 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine?
The InChIKey is GNNUJKRLUGIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-25(27)17-19(21-15-10-4-5-11-15)23-18(14-8-2-1-3-9-14)24-20(17)22-16-12-6-7-13-16/h1-3,8-9,15-16H,4-7,10-13H2,(H2,21,22,23,24).
What are the key properties of 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine?
4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine has a molecular weight of 367.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dicyclopentyl-5-nitro-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 10785195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).