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

C7H8N6 — CID 83619013

IUPAC4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccn[nH]1
InChIInChI=1S/C7H8N6/c8-5-3-9-4-10-7(5)12-6-1-2-11-13-6/h1-4H,8H2,(H2,9,10,11,12,13)
InChIKeyQASZQKSBLDYTAE-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.53
Rot. Bonds2

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

4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine (PubChem CID 83619013) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine
PubChem CID83619013
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccn[nH]1
InChIInChI=1S/C7H8N6/c8-5-3-9-4-10-7(5)12-6-1-2-11-13-6/h1-4H,8H2,(H2,9,10,11,12,13)
InChIKeyQASZQKSBLDYTAE-UHFFFAOYSA-N
XLogP0.53
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.53
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-5-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine (CID 83619013) is 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1ccn[nH]1.
What is the InChIKey of 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine?
The InChIKey is QASZQKSBLDYTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-5-3-9-4-10-7(5)12-6-1-2-11-13-6/h1-4H,8H2,(H2,9,10,11,12,13).
What are the key properties of 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine?
4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine has a molecular weight of 176.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-pyrazol-5-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 83619013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).