5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine

C13H17ClN6 — CID 100650666

IUPAC5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1c([C@@H]2CCCN2c2ncnc(N)c2Cl)cnn1C
InChIInChI=1S/C13H17ClN6/c1-8-9(6-18-19(8)2)10-4-3-5-20(10)13-11(14)12(15)16-7-17-13/h6-7,10H,3-5H2,1-2H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyFFJLULQEEBEATQ-JTQLQIEISA-N
MW292.77 g/mol
LogP2.10
Rot. Bonds2

About 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine

5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 100650666) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID100650666
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1c([C@@H]2CCCN2c2ncnc(N)c2Cl)cnn1C
InChIInChI=1S/C13H17ClN6/c1-8-9(6-18-19(8)2)10-4-3-5-20(10)13-11(14)12(15)16-7-17-13/h6-7,10H,3-5H2,1-2H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyFFJLULQEEBEATQ-JTQLQIEISA-N
XLogP2.10
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 100650666) is 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine is Cc1c([C@@H]2CCCN2c2ncnc(N)c2Cl)cnn1C.
What is the InChIKey of 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is FFJLULQEEBEATQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17ClN6/c1-8-9(6-18-19(8)2)10-4-3-5-20(10)13-11(14)12(15)16-7-17-13/h6-7,10H,3-5H2,1-2H3,(H2,15,16,17)/t10-/m0/s1.
What are the key properties of 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 292.77 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2S)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 100650666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).