N-(1H-pyrazol-5-yl)pyrimidin-2-amine

C7H7N5 — CID 66736044

IUPACN-(1H-pyrazol-5-yl)pyrimidin-2-amine
SMILESc1cnc(Nc2ccn[nH]2)nc1
InChIInChI=1S/C7H7N5/c1-3-8-7(9-4-1)11-6-2-5-10-12-6/h1-5H,(H2,8,9,10,11,12)
InChIKeyVJDVXEUSPYQISA-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.94
Rot. Bonds2

About N-(1H-pyrazol-5-yl)pyrimidin-2-amine

N-(1H-pyrazol-5-yl)pyrimidin-2-amine (PubChem CID 66736044) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)pyrimidin-2-amine
PubChem CID66736044
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC NameN-(1H-pyrazol-5-yl)pyrimidin-2-amine
SMILESc1cnc(Nc2ccn[nH]2)nc1
InChIInChI=1S/C7H7N5/c1-3-8-7(9-4-1)11-6-2-5-10-12-6/h1-5H,(H2,8,9,10,11,12)
InChIKeyVJDVXEUSPYQISA-UHFFFAOYSA-N
XLogP0.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(1H-pyrazol-5-yl)pyrimidin-2-amine (CID 66736044) is N-(1H-pyrazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-yl)pyrimidin-2-amine is c1cnc(Nc2ccn[nH]2)nc1.
What is the InChIKey of N-(1H-pyrazol-5-yl)pyrimidin-2-amine?
The InChIKey is VJDVXEUSPYQISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-3-8-7(9-4-1)11-6-2-5-10-12-6/h1-5H,(H2,8,9,10,11,12).
What are the key properties of N-(1H-pyrazol-5-yl)pyrimidin-2-amine?
N-(1H-pyrazol-5-yl)pyrimidin-2-amine has a molecular weight of 161.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 66736044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).