4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine

C15H23N3O — CID 116893458

IUPAC4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
SMILESCc1cc(C2CCOCC2)nc(C2CCNCC2)n1
InChIInChI=1S/C15H23N3O/c1-11-10-14(12-4-8-19-9-5-12)18-15(17-11)13-2-6-16-7-3-13/h10,12-13,16H,2-9H2,1H3
InChIKeyYVCVWZZXPKMVSX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.15
Rot. Bonds2

About 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine

4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine (PubChem CID 116893458) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
PubChem CID116893458
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
SMILESCc1cc(C2CCOCC2)nc(C2CCNCC2)n1
InChIInChI=1S/C15H23N3O/c1-11-10-14(12-4-8-19-9-5-12)18-15(17-11)13-2-6-16-7-3-13/h10,12-13,16H,2-9H2,1H3
InChIKeyYVCVWZZXPKMVSX-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658
2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
CID 55206429
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
CID 116892590
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893449
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine (CID 116893458) is 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine is Cc1cc(C2CCOCC2)nc(C2CCNCC2)n1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine?
The InChIKey is YVCVWZZXPKMVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-10-14(12-4-8-19-9-5-12)18-15(17-11)13-2-6-16-7-3-13/h10,12-13,16H,2-9H2,1H3.
What are the key properties of 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine?
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine has a molecular weight of 261.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 116893458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).