N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

C8H9N5 — CID 112723681

IUPACN-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1ccc(Nc2ncccn2)n1
InChIInChI=1S/C8H9N5/c1-13-6-3-7(12-13)11-8-9-4-2-5-10-8/h2-6H,1H3,(H,9,10,11,12)
InChIKeyORTRFZWNUWGJDX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.95
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 112723681) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID112723681
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1ccc(Nc2ncccn2)n1
InChIInChI=1S/C8H9N5/c1-13-6-3-7(12-13)11-8-9-4-2-5-10-8/h2-6H,1H3,(H,9,10,11,12)
InChIKeyORTRFZWNUWGJDX-UHFFFAOYSA-N
XLogP0.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146569746
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 79770919
N-(1-methylpyrazol-3-yl)pyridazin-3-amine
CID 79778792
ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
CID 79778395
1-methyl-N-(1-propylimidazol-2-yl)pyrazol-3-amine
CID 106562921
5-chloro-N-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 131101341
4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 80849150
6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine
CID 79778392
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650247
(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
CID 75525830
5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin
CID 176655110

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (CID 112723681) is N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is Cn1ccc(Nc2ncccn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is ORTRFZWNUWGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-13-6-3-7(12-13)11-8-9-4-2-5-10-8/h2-6H,1H3,(H,9,10,11,12).
What are the key properties of N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 112723681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).