N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine

C8H8N6O2 — CID 79779100

IUPACN-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
SMILESCn1ccc(Nc2ncc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C8H8N6O2/c1-13-3-2-7(12-13)11-8-9-4-6(5-10-8)14(15)16/h2-5H,1H3,(H,9,10,11,12)
InChIKeyRUMGDYCFKMWOBP-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.86
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine

N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine (PubChem CID 79779100) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
PubChem CID79779100
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC NameN-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
SMILESCn1ccc(Nc2ncc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C8H8N6O2/c1-13-3-2-7(12-13)11-8-9-4-6(5-10-8)14(15)16/h2-5H,1H3,(H,9,10,11,12)
InChIKeyRUMGDYCFKMWOBP-UHFFFAOYSA-N
XLogP0.86
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
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

N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 112723681
5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661
N-(2-iodo-4-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779397
N-(1-methylpyrazol-3-yl)-6-nitroquinazolin-4-amine
CID 79781354
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
2-[(1-methylpyrazol-3-yl)amino]-5-nitrobenzoic acid
CID 78913493
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
CID 79778692
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 162474156

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine (CID 79779100) is N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine is Cn1ccc(Nc2ncc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine?
The InChIKey is RUMGDYCFKMWOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-13-3-2-7(12-13)11-8-9-4-6(5-10-8)14(15)16/h2-5H,1H3,(H,9,10,11,12).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine?
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine has a molecular weight of 220.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 79779100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).