5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C10H10N6O2 — CID 56762955

IUPAC5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCc2cccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2/c11-9-8(16(17)18)6-14-10(15-9)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H3,11,13,14,15)
InChIKeyVQZZADOFJZGNRG-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.97
Rot. Bonds4

About 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 56762955) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID56762955
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCc2cccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2/c11-9-8(16(17)18)6-14-10(15-9)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H3,11,13,14,15)
InChIKeyVQZZADOFJZGNRG-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'}

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Related Compounds

2-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 133274461
2-N-[(4-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 133292911
2-N-[(3,5-difluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 143177853
2-N-[(2-fluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 47158286
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 24904008
2-N-[[2-(dimethylamino)phenyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 86806521
4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 114071056
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-nitropyrimidine-2,4-diamine
CID 133286933
2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 133423053
3-iodo-4-nitro-N-(pyridin-3-ylmethyl)aniline
CID 47277007
2,4-dimethyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 104757609

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 56762955) is 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Nc1nc(NCc2cccnc2)ncc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VQZZADOFJZGNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-9-8(16(17)18)6-14-10(15-9)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H3,11,13,14,15).
What are the key properties of 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine 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 5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56762955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).