4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine

C8H11N5 — CID 165176056

IUPAC4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine
SMILESCn1cc(C2(N)C=CNC=N2)cn1
InChIInChI=1S/C8H11N5/c1-13-5-7(4-12-13)8(9)2-3-10-6-11-8/h2-6H,9H2,1H3,(H,10,11)
InChIKeyVGVZPJCPKDNEIE-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.32
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine

4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine (PubChem CID 165176056) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine
PubChem CID165176056
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine
SMILESCn1cc(C2(N)C=CNC=N2)cn1
InChIInChI=1S/C8H11N5/c1-13-5-7(4-12-13)8(9)2-3-10-6-11-8/h2-6H,9H2,1H3,(H,10,11)
InChIKeyVGVZPJCPKDNEIE-UHFFFAOYSA-N
XLogP-0.32
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine (CID 165176056) is 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine is Cn1cc(C2(N)C=CNC=N2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine?
The InChIKey is VGVZPJCPKDNEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-13-5-7(4-12-13)8(9)2-3-10-6-11-8/h2-6H,9H2,1H3,(H,10,11).
What are the key properties of 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine?
4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine has a molecular weight of 177.21 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1H-pyrimidin-4-amine is sourced from PubChem (CID 165176056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).