4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine

C8H10N6 — CID 80849150

IUPAC4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCn1ccc(Nc2cc(N)ncn2)n1
InChIInChI=1S/C8H10N6/c1-14-3-2-7(13-14)12-8-4-6(9)10-5-11-8/h2-5H,1H3,(H3,9,10,11,12,13)
InChIKeyJDWHJVGQBPHBGU-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.54
Rot. Bonds2

About 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine

4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 80849150) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
PubChem CID80849150
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCn1ccc(Nc2cc(N)ncn2)n1
InChIInChI=1S/C8H10N6/c1-14-3-2-7(13-14)12-8-4-6(9)10-5-11-8/h2-5H,1H3,(H3,9,10,11,12,13)
InChIKeyJDWHJVGQBPHBGU-UHFFFAOYSA-N
XLogP0.54
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 79770919
4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80849539
6-(3-methylphenyl)-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 151158667
3-methyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,5-diamine
CID 79769929
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 112723681
2-chloro-1-N-(1-methylpyrazol-3-yl)benzene-1,4-diamine
CID 79770740
N-(1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 141359494
5-chloro-N-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 131101341
(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
CID 75525830
5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 80850079

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine (CID 80849150) is 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine is Cn1ccc(Nc2cc(N)ncn2)n1.
What is the InChIKey of 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is JDWHJVGQBPHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-14-3-2-7(13-14)12-8-4-6(9)10-5-11-8/h2-5H,1H3,(H3,9,10,11,12,13).
What are the key properties of 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80849150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).