4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

C8H8ClN5 — CID 146569746

IUPAC4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1ccc(Nc2nccc(Cl)n2)n1
InChIInChI=1S/C8H8ClN5/c1-14-5-3-7(13-14)12-8-10-4-2-6(9)11-8/h2-5H,1H3,(H,10,11,12,13)
InChIKeyFINFWRZVKPPGTN-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.61
Rot. Bonds2

About 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 146569746) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID146569746
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1ccc(Nc2nccc(Cl)n2)n1
InChIInChI=1S/C8H8ClN5/c1-14-5-3-7(13-14)12-8-10-4-2-6(9)11-8/h2-5H,1H3,(H,10,11,12,13)
InChIKeyFINFWRZVKPPGTN-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (CID 146569746) is 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is Cn1ccc(Nc2nccc(Cl)n2)n1.
What is the InChIKey of 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is FINFWRZVKPPGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-14-5-3-7(13-14)12-8-10-4-2-6(9)11-8/h2-5H,1H3,(H,10,11,12,13).
What are the key properties of 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 146569746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).