2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine

C17H22N4 — CID 124949798

IUPAC2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
SMILESCc1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cn1
InChIInChI=1S/C17H22N4/c1-13-5-6-15(10-19-13)11-21-9-3-4-16(12-21)17-7-8-18-14(2)20-17/h5-8,10,16H,3-4,9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCWTZHUWDCALIRP-MRXNPFEDSA-N
MW282.39 g/mol
LogP2.87
Rot. Bonds3

About 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine

2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine (PubChem CID 124949798) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
PubChem CID124949798
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
SMILESCc1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cn1
InChIInChI=1S/C17H22N4/c1-13-5-6-15(10-19-13)11-21-9-3-4-16(12-21)17-7-8-18-14(2)20-17/h5-8,10,16H,3-4,9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCWTZHUWDCALIRP-MRXNPFEDSA-N
XLogP2.87
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
2-methyl-6-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 110259175
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124973403
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 146138398
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 110257012
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 110213955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine (CID 124949798) is 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine is Cc1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cn1.
What is the InChIKey of 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
The InChIKey is CWTZHUWDCALIRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-5-6-15(10-19-13)11-21-9-3-4-16(12-21)17-7-8-18-14(2)20-17/h5-8,10,16H,3-4,9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine?
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 124949798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).