2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine

C16H20N4 — CID 110091435

IUPAC2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
SMILESCc1nccc(C2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C16H20N4/c1-13-18-8-6-16(19-13)15-5-3-9-20(12-15)11-14-4-2-7-17-10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3
InChIKeyGAWYJQZJCPODTC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine

2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine (PubChem CID 110091435) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
PubChem CID110091435
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
SMILESCc1nccc(C2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C16H20N4/c1-13-18-8-6-16(19-13)15-5-3-9-20(12-15)11-14-4-2-7-17-10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3
InChIKeyGAWYJQZJCPODTC-UHFFFAOYSA-N
XLogP2.56
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
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
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine (CID 110091435) is 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine is Cc1nccc(C2CCCN(Cc3cccnc3)C2)n1.
What is the InChIKey of 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine?
The InChIKey is GAWYJQZJCPODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-18-8-6-16(19-13)15-5-3-9-20(12-15)11-14-4-2-7-17-10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3.
What are the key properties of 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine?
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine is sourced from PubChem (CID 110091435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).