2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine

C15H25N3O — CID 163258238

IUPAC2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine
SMILESCOc1ncc(CN2CCCCC2(C)C(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-12(2)15(3)7-5-6-8-18(15)11-13-9-16-14(19-4)17-10-13/h9-10,12H,5-8,11H2,1-4H3
InChIKeyJLHZVJCFYBFQEK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.89
Rot. Bonds4

About 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine

2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 163258238) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine
PubChem CID163258238
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine
SMILESCOc1ncc(CN2CCCCC2(C)C(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-12(2)15(3)7-5-6-8-18(15)11-13-9-16-14(19-4)17-10-13/h9-10,12H,5-8,11H2,1-4H3
InChIKeyJLHZVJCFYBFQEK-UHFFFAOYSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
CID 138384814
1-ethyl-2-methyl-2-propan-2-ylazocane
CID 130400145
2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
CID 169307476
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 131925926
2-methoxy-5-(propan-2-yloxymethyl)pyrimidine
CID 134164833
5-ethyl-2-methoxypyrimidine
CID 20754775
(5S,6S)-6-methoxy-8-[(2-methoxypyrimidin-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110156248
trifluoro-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]boranuide
CID 169307345
2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 175655763

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine (CID 163258238) is 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine is COc1ncc(CN2CCCCC2(C)C(C)C)cn1.
What is the InChIKey of 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is JLHZVJCFYBFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)15(3)7-5-6-8-18(15)11-13-9-16-14(19-4)17-10-13/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine?
2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 263.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 163258238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).