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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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).