4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine

C12H19N3 — CID 177203554

IUPAC4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCc1ccnc(CN2CCCC(C)C2)n1
InChIInChI=1S/C12H19N3/c1-10-4-3-7-15(8-10)9-12-13-6-5-11(2)14-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyAHECKBHZGLWCOX-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.02
Rot. Bonds2

About 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine

4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 177203554) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine
PubChem CID177203554
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCc1ccnc(CN2CCCC(C)C2)n1
InChIInChI=1S/C12H19N3/c1-10-4-3-7-15(8-10)9-12-13-6-5-11(2)14-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyAHECKBHZGLWCOX-UHFFFAOYSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
4-methyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine
CID 177203757
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
CID 129349414
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 95875447
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
1-benzyl-3-methylpiperidine
CID 2794856
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17449838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine (CID 177203554) is 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine is Cc1ccnc(CN2CCCC(C)C2)n1.
What is the InChIKey of 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is AHECKBHZGLWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-3-7-15(8-10)9-12-13-6-5-11(2)14-12/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine?
4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 205.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 177203554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).