4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine

C17H26N4O — CID 172899302

IUPAC4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine
SMILESCc1cc(N2CCCC(N3CCOCC3)C2)nc(C2CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-11-16(19-17(18-13)14-4-5-14)21-6-2-3-15(12-21)20-7-9-22-10-8-20/h11,14-15H,2-10,12H2,1H3
InChIKeyWIZZKHGBNAWPEB-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.96
Rot. Bonds3

About 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine

4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine (PubChem CID 172899302) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine
PubChem CID172899302
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine
SMILESCc1cc(N2CCCC(N3CCOCC3)C2)nc(C2CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-11-16(19-17(18-13)14-4-5-14)21-6-2-3-15(12-21)20-7-9-22-10-8-20/h11,14-15H,2-10,12H2,1H3
InChIKeyWIZZKHGBNAWPEB-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95307695
4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146079760
2-cyclopropyl-4-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893435
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
2-[4-(chloromethyl)-6-methyl-2-pyridinyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 113378870
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172892797
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155980467
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156
4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine (CID 172899302) is 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine is Cc1cc(N2CCCC(N3CCOCC3)C2)nc(C2CC2)n1.
What is the InChIKey of 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine?
The InChIKey is WIZZKHGBNAWPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-11-16(19-17(18-13)14-4-5-14)21-6-2-3-15(12-21)20-7-9-22-10-8-20/h11,14-15H,2-10,12H2,1H3.
What are the key properties of 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine?
4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine has a molecular weight of 302.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine is sourced from PubChem (CID 172899302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).