3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine

C10H9N5O2 — CID 114111440

IUPAC3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCc1ccncn1
InChIInChI=1S/C10H9N5O2/c16-15(17)9-2-1-4-12-10(9)13-6-8-3-5-11-7-14-8/h1-5,7H,6H2,(H,12,13)
InChIKeyGXLKYBKWKMNXSB-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.39
Rot. Bonds4

About 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine

3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine (PubChem CID 114111440) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
PubChem CID114111440
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCc1ccncn1
InChIInChI=1S/C10H9N5O2/c16-15(17)9-2-1-4-12-10(9)13-6-8-3-5-11-7-14-8/h1-5,7H,6H2,(H,12,13)
InChIKeyGXLKYBKWKMNXSB-UHFFFAOYSA-N
XLogP1.39
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.39
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

3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111474
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[(4-methylsulfonylphenyl)methyl]-3-nitropyridin-2-amine
CID 60502817
2,4-dimethyl-5-nitro-N-(pyrimidin-4-ylmethyl)aniline
CID 104757482
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 112549966
[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol
CID 133487746

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine (CID 114111440) is 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCc1ccncn1.
What is the InChIKey of 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is GXLKYBKWKMNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c16-15(17)9-2-1-4-12-10(9)13-6-8-3-5-11-7-14-8/h1-5,7H,6H2,(H,12,13).
What are the key properties of 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 231.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114111440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).