4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine

C8H8ClN5 — CID 79816701

IUPAC4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine
SMILESCc1nn(-c2ccncn2)c(N)c1Cl
InChIInChI=1S/C8H8ClN5/c1-5-7(9)8(10)14(13-5)6-2-3-11-4-12-6/h2-4H,10H2,1H3
InChIKeyCHZSJDHHXKUNIL-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.21
Rot. Bonds1

About 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine

4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine (PubChem CID 79816701) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine
PubChem CID79816701
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine
SMILESCc1nn(-c2ccncn2)c(N)c1Cl
InChIInChI=1S/C8H8ClN5/c1-5-7(9)8(10)14(13-5)6-2-3-11-4-12-6/h2-4H,10H2,1H3
InChIKeyCHZSJDHHXKUNIL-UHFFFAOYSA-N
XLogP1.21
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine (CID 79816701) is 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine is Cc1nn(-c2ccncn2)c(N)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine?
The InChIKey is CHZSJDHHXKUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-5-7(9)8(10)14(13-5)6-2-3-11-4-12-6/h2-4H,10H2,1H3.
What are the key properties of 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine?
4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine has a molecular weight of 209.64 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine is sourced from PubChem (CID 79816701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).