4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine

C15H18ClN3O — CID 98787488

IUPAC4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(N2CC[C@H](C)C[C@H]2c2ccco2)n1
InChIInChI=1S/C15H18ClN3O/c1-10-5-6-19(12(8-10)13-4-3-7-20-13)15-9-14(16)17-11(2)18-15/h3-4,7,9-10,12H,5-6,8H2,1-2H3/t10-,12-/m0/s1
InChIKeyRRUIQUQAVKSMFP-JQWIXIFHSA-N
MW291.78 g/mol
LogP4.01
Rot. Bonds2

About 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine

4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine (PubChem CID 98787488) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
PubChem CID98787488
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(N2CC[C@H](C)C[C@H]2c2ccco2)n1
InChIInChI=1S/C15H18ClN3O/c1-10-5-6-19(12(8-10)13-4-3-7-20-13)15-9-14(16)17-11(2)18-15/h3-4,7,9-10,12H,5-6,8H2,1-2H3/t10-,12-/m0/s1
InChIKeyRRUIQUQAVKSMFP-JQWIXIFHSA-N
XLogP4.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine 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

6-[2-(furan-2-yl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133327846
4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine
CID 133332585
2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
CID 133334695
4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine
CID 133332656
4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
CID 95789765
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
4-[2-(furan-2-yl)piperidin-1-yl]-2-methoxy-6-methylpyrimidine
CID 136530979
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
CID 133332577
1-(6-chloro-2-methylpyrimidin-4-yl)-5-methylpyrrolidin-3-ol
CID 130921256
1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 121201735
1-[4-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-3-nitrophenyl]sulfonyl-4-methylpiperazine
CID 133334681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine (CID 98787488) is 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine is Cc1nc(Cl)cc(N2CC[C@H](C)C[C@H]2c2ccco2)n1.
What is the InChIKey of 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine?
The InChIKey is RRUIQUQAVKSMFP-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-5-6-19(12(8-10)13-4-3-7-20-13)15-9-14(16)17-11(2)18-15/h3-4,7,9-10,12H,5-6,8H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine?
4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine has a molecular weight of 291.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 98787488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).