4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine

C12H19N5O2 — CID 23487432

IUPAC4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-2-7-13-11-10(17(18)19)12(15-8-14-11)16-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyDQYZWDACLMRSLP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.56
Rot. Bonds6

About 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine

4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine (PubChem CID 23487432) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
PubChem CID23487432
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-2-7-13-11-10(17(18)19)12(15-8-14-11)16-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyDQYZWDACLMRSLP-UHFFFAOYSA-N
XLogP2.56
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.56
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-(3-methylcyclopentyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 114541985
5-nitro-6-N-propyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065276
4-N-(1-cyclopentylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80820740
4-N-cyclohexyl-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine
CID 23487712
4-N-cycloheptyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526142
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
6-cyclohexylsulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 80886211
N-cyclopropyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80775447
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882
5-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324058
4-N-(2-methylsulfanylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839763

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine (CID 23487432) is 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DQYZWDACLMRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-7-13-11-10(17(18)19)12(15-8-14-11)16-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 23487432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).