5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine

C11H10N4O2 — CID 10331419

IUPAC5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O2/c1-7-6-13-11(12)14-10(7)8-3-2-4-9(5-8)15(16)17/h2-6H,1H3,(H2,12,13,14)
InChIKeyKPKVFAUPTPNIRH-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.94
Rot. Bonds2

About 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine

5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine (PubChem CID 10331419) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
PubChem CID10331419
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O2/c1-7-6-13-11(12)14-10(7)8-3-2-4-9(5-8)15(16)17/h2-6H,1H3,(H2,12,13,14)
InChIKeyKPKVFAUPTPNIRH-UHFFFAOYSA-N
XLogP1.94
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.94
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-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 91398479
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044546
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine
CID 59647247
5-methyl-6-(3-nitrophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80974718
3-[2-amino-8-methoxy-5-(3-nitrophenyl)quinazolin-7-yl]prop-2-enoic acid
CID 69497173
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
6-(3-nitrophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
CID 87256211
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine (CID 10331419) is 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine is Cc1cnc(N)nc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine?
The InChIKey is KPKVFAUPTPNIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-6-13-11(12)14-10(7)8-3-2-4-9(5-8)15(16)17/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine?
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine has a molecular weight of 230.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 10331419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).