4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C13H21N3O — CID 166900843

IUPAC4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-10(2)11-5-8-16(9-6-11)13-14-7-4-12(15-13)17-3/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyTVXLONSCFMPXGV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds3

About 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 166900843) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID166900843
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-10(2)11-5-8-16(9-6-11)13-14-7-4-12(15-13)17-3/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyTVXLONSCFMPXGV-UHFFFAOYSA-N
XLogP2.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
CID 167897148
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155975727
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
2-cyclopropyl-4-ethyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154828961

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 166900843) is 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is COc1ccnc(N2CCC(C(C)C)CC2)n1.
What is the InChIKey of 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is TVXLONSCFMPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)11-5-8-16(9-6-11)13-14-7-4-12(15-13)17-3/h4,7,10-11H,5-6,8-9H2,1-3H3.
What are the key properties of 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 166900843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).