N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine

C8H9N5 — CID 61000619

IUPACN-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCc2cn[nH]c2)nc1
InChIInChI=1S/C8H9N5/c1-2-9-8(10-3-1)11-4-7-5-12-13-6-7/h1-3,5-6H,4H2,(H,12,13)(H,9,10,11)
InChIKeyGNGWFGVHFQBUOR-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine

N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 61000619) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID61000619
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCc2cn[nH]c2)nc1
InChIInChI=1S/C8H9N5/c1-2-9-8(10-3-1)11-4-7-5-12-13-6-7/h1-3,5-6H,4H2,(H,12,13)(H,9,10,11)
InChIKeyGNGWFGVHFQBUOR-UHFFFAOYSA-N
XLogP0.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine (CID 61000619) is N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine is c1cnc(NCc2cn[nH]c2)nc1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is GNGWFGVHFQBUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-9-8(10-3-1)11-4-7-5-12-13-6-7/h1-3,5-6H,4H2,(H,12,13)(H,9,10,11).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 61000619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).