4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine

C14H19N5 — CID 95845236

IUPAC4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CC[C@H](c3[nH]ncc3C)C2)n1
InChIInChI=1S/C14H19N5/c1-9-7-15-18-13(9)12-4-5-19(8-12)14-16-10(2)6-11(3)17-14/h6-7,12H,4-5,8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyGKFDTWNKNACTRK-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds2

About 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine

4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 95845236) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID95845236
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CC[C@H](c3[nH]ncc3C)C2)n1
InChIInChI=1S/C14H19N5/c1-9-7-15-18-13(9)12-4-5-19(8-12)14-16-10(2)6-11(3)17-14/h6-7,12H,4-5,8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyGKFDTWNKNACTRK-LBPRGKRZSA-N
XLogP2.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
CID 110091067
4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 95841714
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine
CID 73440562
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110259066
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine (CID 95845236) is 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CC[C@H](c3[nH]ncc3C)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is GKFDTWNKNACTRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-7-15-18-13(9)12-4-5-19(8-12)14-16-10(2)6-11(3)17-14/h6-7,12H,4-5,8H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 257.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95845236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).