4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine

C16H21N5 — CID 110257012

IUPAC4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCCC(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5/c1-11-9-12(2)19-16(18-11)21-8-4-5-14(10-21)15-6-7-17-13(3)20-15/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeySBQNHMNIDMCPJT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.58
Rot. Bonds2

About 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine

4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 110257012) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
PubChem CID110257012
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCCC(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5/c1-11-9-12(2)19-16(18-11)21-8-4-5-14(10-21)15-6-7-17-13(3)20-15/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeySBQNHMNIDMCPJT-UHFFFAOYSA-N
XLogP2.58
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110259066
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829339
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
N,2-dimethyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 110257007
N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine (CID 110257012) is 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCCC(c3ccnc(C)n3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is SBQNHMNIDMCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-9-12(2)19-16(18-11)21-8-4-5-14(10-21)15-6-7-17-13(3)20-15/h6-7,9,14H,4-5,8,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 110257012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).