4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine

C8H10N6 — CID 79918333

IUPAC4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCc1cn[nH]c1
InChIInChI=1S/C8H10N6/c9-7-4-10-5-12-8(7)11-1-6-2-13-14-3-6/h2-5H,1,9H2,(H,13,14)(H,10,11,12)
InChIKeyWDLZXENRYGSFLB-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.39
Rot. Bonds3

About 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine

4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 79918333) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
PubChem CID79918333
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCc1cn[nH]c1
InChIInChI=1S/C8H10N6/c9-7-4-10-5-12-8(7)11-1-6-2-13-14-3-6/h2-5H,1,9H2,(H,13,14)(H,10,11,12)
InChIKeyWDLZXENRYGSFLB-UHFFFAOYSA-N
XLogP0.39
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine (CID 79918333) is 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine is Nc1cncnc1NCc1cn[nH]c1.
What is the InChIKey of 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is WDLZXENRYGSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c9-7-4-10-5-12-8(7)11-1-6-2-13-14-3-6/h2-5H,1,9H2,(H,13,14)(H,10,11,12).
What are the key properties of 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine?
4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).