5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine

C12H15ClN6 — CID 141399087

IUPAC5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)C1
InChIInChI=1S/C12H15ClN6/c1-18-3-2-11(8-18)19-7-10(6-16-19)17-12-14-4-9(13)5-15-12/h4-7,11H,2-3,8H2,1H3,(H,14,15,17)
InChIKeyHVCUZTNPJJXBCG-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.95
Rot. Bonds3

About 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine

5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 141399087) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID141399087
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)C1
InChIInChI=1S/C12H15ClN6/c1-18-3-2-11(8-18)19-7-10(6-16-19)17-12-14-4-9(13)5-15-12/h4-7,11H,2-3,8H2,1H3,(H,14,15,17)
InChIKeyHVCUZTNPJJXBCG-UHFFFAOYSA-N
XLogP1.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 141399087) is 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine is CN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)C1.
What is the InChIKey of 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is HVCUZTNPJJXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-18-3-2-11(8-18)19-7-10(6-16-19)17-12-14-4-9(13)5-15-12/h4-7,11H,2-3,8H2,1H3,(H,14,15,17).
What are the key properties of 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 278.75 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 141399087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).