6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine

C11H15ClN4O2 — CID 82459135

IUPAC6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1nc(CC(C)C)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O2/c1-4-5-13-11-9(16(17)18)10(12)14-8(15-11)6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,13,14,15)
InChIKeyYZGWOARJQMVMGN-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.83
Rot. Bonds6

About 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine

6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine (PubChem CID 82459135) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
PubChem CID82459135
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1nc(CC(C)C)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O2/c1-4-5-13-11-9(16(17)18)10(12)14-8(15-11)6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,13,14,15)
InChIKeyYZGWOARJQMVMGN-UHFFFAOYSA-N
XLogP2.83
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82458177
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
6-chloro-2-ethyl-5-nitro-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82458946
6-chloro-N-ethyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 21400867
2-chloro-3-nitro-N-prop-2-enylquinolin-4-amine
CID 59007293
6-chloro-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82458956
N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine
CID 82459074
5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine
CID 3104739
6-chloro-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82459060
6-chloro-2-cyclopropyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82459024
6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 82458941

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine (CID 82459135) is 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine is C=CCNc1nc(CC(C)C)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is YZGWOARJQMVMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-4-5-13-11-9(16(17)18)10(12)14-8(15-11)6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,13,14,15).
What are the key properties of 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine?
6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 270.72 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 82459135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).