4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine

C14H16N6O2 — CID 22528038

IUPAC4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2cccnc2)ncnc1NC1CCCC1
InChIInChI=1S/C14H16N6O2/c21-20(22)12-13(18-10-4-1-2-5-10)16-9-17-14(12)19-11-6-3-7-15-8-11/h3,6-10H,1-2,4-5H2,(H2,16,17,18,19)
InChIKeyCNIAHPBHCOUANH-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.88
Rot. Bonds5

About 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine

4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine (PubChem CID 22528038) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
PubChem CID22528038
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2cccnc2)ncnc1NC1CCCC1
InChIInChI=1S/C14H16N6O2/c21-20(22)12-13(18-10-4-1-2-5-10)16-9-17-14(12)19-11-6-3-7-15-8-11/h3,6-10H,1-2,4-5H2,(H2,16,17,18,19)
InChIKeyCNIAHPBHCOUANH-UHFFFAOYSA-N
XLogP2.88
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-cycloheptyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528043
6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
CID 22532107
4-N-cyclopentyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531987
4-N-cycloheptyl-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 23486634
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22527942
4-N-(2,4-dimethylphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 23495404
4-N-(2-ethoxyphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528049
N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526883
4-N-cyclopentyl-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538262
6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-pyridin-3-ylpyrimidin-4-amine
CID 22528030
4-N-cyclopentyl-6-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480950
6-N-(4-butoxyphenyl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 23495089

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine (CID 22528038) is 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2cccnc2)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The InChIKey is CNIAHPBHCOUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c21-20(22)12-13(18-10-4-1-2-5-10)16-9-17-14(12)19-11-6-3-7-15-8-11/h3,6-10H,1-2,4-5H2,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine has a molecular weight of 300.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 22528038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).