4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine

C8H12N6 — CID 142800858

IUPAC4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine
SMILESCn1cc(C2(N)C=C(N)NC=N2)cn1
InChIInChI=1S/C8H12N6/c1-14-4-6(3-13-14)8(10)2-7(9)11-5-12-8/h2-5H,9-10H2,1H3,(H,11,12)
InChIKeyLJBOXEBZZXYZJC-UHFFFAOYSA-N
MW192.23 g/mol
LogP-1.04
Rot. Bonds1

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

4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine (PubChem CID 142800858) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine
PubChem CID142800858
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine
SMILESCn1cc(C2(N)C=C(N)NC=N2)cn1
InChIInChI=1S/C8H12N6/c1-14-4-6(3-13-14)8(10)2-7(9)11-5-12-8/h2-5H,9-10H2,1H3,(H,11,12)
InChIKeyLJBOXEBZZXYZJC-UHFFFAOYSA-N
XLogP-1.04
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine (CID 142800858) is 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine is Cn1cc(C2(N)C=C(N)NC=N2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine?
The InChIKey is LJBOXEBZZXYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-14-4-6(3-13-14)8(10)2-7(9)11-5-12-8/h2-5H,9-10H2,1H3,(H,11,12).
What are the key properties of 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine?
4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine has a molecular weight of 192.23 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1H-pyrimidine-4,6-diamine is sourced from PubChem (CID 142800858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).