2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine

C10H10N6O2 — CID 133367182

IUPAC2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CNc2ccc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H10N6O2/c11-8-3-4-12-10(15-8)6-14-9-2-1-7(5-13-9)16(17)18/h1-5H,6H2,(H,13,14)(H2,11,12,15)
InChIKeyAPAGGPQYDRFVCM-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.97
Rot. Bonds4

About 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine

2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine (PubChem CID 133367182) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine
PubChem CID133367182
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine
SMILESNc1ccnc(CNc2ccc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H10N6O2/c11-8-3-4-12-10(15-8)6-14-9-2-1-7(5-13-9)16(17)18/h1-5H,6H2,(H,13,14)(H2,11,12,15)
InChIKeyAPAGGPQYDRFVCM-UHFFFAOYSA-N
XLogP0.97
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
2-N-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 116795542
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
CID 133439849
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
2-[2-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81311809
5-nitro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 133275091
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 47406157
N'-(5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63120270

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine (CID 133367182) is 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine is Nc1ccnc(CNc2ccc([N+](=O)[O-])cn2)n1.
What is the InChIKey of 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine?
The InChIKey is APAGGPQYDRFVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-8-3-4-12-10(15-8)6-14-9-2-1-7(5-13-9)16(17)18/h1-5H,6H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine?
2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine has a molecular weight of 246.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133367182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).