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

C11H10N4O2 — CID 141210561

IUPAC4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2/c1-7-8(3-2-4-10(7)15(16)17)9-5-6-13-11(12)14-9/h2-6H,1H3,(H2,12,13,14)
InChIKeyYKKHJPKZTZGLAN-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.94
Rot. Bonds2

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

4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine (PubChem CID 141210561) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine
PubChem CID141210561
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2/c1-7-8(3-2-4-10(7)15(16)17)9-5-6-13-11(12)14-9/h2-6H,1H3,(H2,12,13,14)
InChIKeyYKKHJPKZTZGLAN-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-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63690310
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-methyl-3-(2-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 16764873
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179785
4-(2-aminophenyl)pyrimidin-2-amine
CID 73441764
3-(2-methyl-3-nitrophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115391575
5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875910
2-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 103113864
4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine
CID 102942641
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
1-[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178958

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine (CID 141210561) is 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine is Cc1c(-c2ccnc(N)n2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine?
The InChIKey is YKKHJPKZTZGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-8(3-2-4-10(7)15(16)17)9-5-6-13-11(12)14-9/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine?
4-(2-methyl-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 4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 141210561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).