N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine

C10H9N5O2 — CID 114044551

IUPACN-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine
SMILESCNc1ncc([N+](=O)[O-])c(-c2ccncc2)n1
InChIInChI=1S/C10H9N5O2/c1-11-10-13-6-8(15(16)17)9(14-10)7-2-4-12-5-3-7/h2-6H,1H3,(H,11,13,14)
InChIKeyKVLVMGKSVWVVJN-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.49
Rot. Bonds3

About N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine

N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 114044551) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID114044551
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC NameN-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine
SMILESCNc1ncc([N+](=O)[O-])c(-c2ccncc2)n1
InChIInChI=1S/C10H9N5O2/c1-11-10-13-6-8(15(16)17)9(14-10)7-2-4-12-5-3-7/h2-6H,1H3,(H,11,13,14)
InChIKeyKVLVMGKSVWVVJN-UHFFFAOYSA-N
XLogP1.49
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-methyl-5-nitro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 114044822
5-nitro-6-pyridin-4-ylpyridin-2-amine
CID 13309018
N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine
CID 20550352
N-methyl-5-nitro-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 114044807
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
N'-(5-ethyl-4-pyridin-4-ylpyrimidin-2-yl)-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 157358571
N-methyl-5-nitro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 114044107
N-methyl-3-nitropyridin-2-amine
CID 556349
3-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]butan-1-ol
CID 114045405
2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)-5-nitropyrimidine-2,4-diamine
CID 114045332
6-methyl-3-nitro-2-pyridin-3-ylpyridine
CID 46316012
4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol
CID 106358076

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine (CID 114044551) is N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine is CNc1ncc([N+](=O)[O-])c(-c2ccncc2)n1.
What is the InChIKey of N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is KVLVMGKSVWVVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-11-10-13-6-8(15(16)17)9(14-10)7-2-4-12-5-3-7/h2-6H,1H3,(H,11,13,14).
What are the key properties of N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine?
N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 231.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 114044551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).