N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

C10H12N6O2 — CID 7585717

IUPACN,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(-n2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H12N6O2/c1-7-4-9(14(2)3)13-10(12-7)15-6-8(5-11-15)16(17)18/h4-6H,1-3H3
InChIKeyLAIWKFHIYFRVSL-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.94
Rot. Bonds3

About N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (PubChem CID 7585717) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
PubChem CID7585717
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(-n2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H12N6O2/c1-7-4-9(14(2)3)13-10(12-7)15-6-8(5-11-15)16(17)18/h4-6H,1-3H3
InChIKeyLAIWKFHIYFRVSL-UHFFFAOYSA-N
XLogP0.94
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (CID 7585717) is N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is Cc1cc(N(C)C)nc(-n2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is LAIWKFHIYFRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-7-4-9(14(2)3)13-10(12-7)15-6-8(5-11-15)16(17)18/h4-6H,1-3H3.
What are the key properties of N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 248.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 7585717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).