N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine

C11H17ClN4O2 — CID 82459074

IUPACN-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c([N+](=O)[O-])c(NC(C)CC)n1
InChIInChI=1S/C11H17ClN4O2/c1-4-6-8-14-10(12)9(16(17)18)11(15-8)13-7(3)5-2/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFBSCYRSEIVKCHD-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.20
Rot. Bonds6

About N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine

N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine (PubChem CID 82459074) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine
PubChem CID82459074
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC NameN-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c([N+](=O)[O-])c(NC(C)CC)n1
InChIInChI=1S/C11H17ClN4O2/c1-4-6-8-14-10(12)9(16(17)18)11(15-8)13-7(3)5-2/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFBSCYRSEIVKCHD-UHFFFAOYSA-N
XLogP3.20
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459020
6-chloro-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82459060
6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 82458941
6-chloro-N-ethyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 21400867
6-chloro-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82458956
4-N-butan-2-yl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487237
N-butan-2-yl-6-ethoxy-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82454873
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
6-chloro-2-ethyl-5-nitro-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82458946
6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 82459135
6-chloro-N-heptan-2-yl-5-nitropyrimidin-4-amine
CID 55035621
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine (CID 82459074) is N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c([N+](=O)[O-])c(NC(C)CC)n1.
What is the InChIKey of N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine?
The InChIKey is FBSCYRSEIVKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-4-6-8-14-10(12)9(16(17)18)11(15-8)13-7(3)5-2/h7H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine?
N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82459074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).