5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine

C14H13BrN4O2 — CID 66303564

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2[N+](=O)[O-])nc(C2CC2)c1Br
InChIInChI=1S/C14H13BrN4O2/c1-16-14-11(15)12(8-6-7-8)17-13(18-14)9-4-2-3-5-10(9)19(20)21/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyYGMMVXQNIFIXRO-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine (PubChem CID 66303564) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
PubChem CID66303564
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2[N+](=O)[O-])nc(C2CC2)c1Br
InChIInChI=1S/C14H13BrN4O2/c1-16-14-11(15)12(8-6-7-8)17-13(18-14)9-4-2-3-5-10(9)19(20)21/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyYGMMVXQNIFIXRO-UHFFFAOYSA-N
XLogP3.73
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.73
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'}

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Related Compounds

5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66304583
5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191254
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190748
5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66302540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine (CID 66303564) is 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine is CNc1nc(-c2ccccc2[N+](=O)[O-])nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The InChIKey is YGMMVXQNIFIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-16-14-11(15)12(8-6-7-8)17-13(18-14)9-4-2-3-5-10(9)19(20)21/h2-5,8H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine has a molecular weight of 349.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66303564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).