(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

C18H22N6O2 — CID 171359459

IUPAC(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CN2CCC(c3nccc(-c4cncnc4)n3)CC2)OC1=O
InChIInChI=1S/C18H22N6O2/c1-23-10-15(26-18(23)25)11-24-6-3-13(4-7-24)17-21-5-2-16(22-17)14-8-19-12-20-9-14/h2,5,8-9,12-13,15H,3-4,6-7,10-11H2,1H3/t15-/m1/s1
InChIKeyYXAKEZNWMYIZRB-OAHLLOKOSA-N
MW354.41 g/mol
LogP1.56
Rot. Bonds4

About (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 171359459) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID171359459
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CN2CCC(c3nccc(-c4cncnc4)n3)CC2)OC1=O
InChIInChI=1S/C18H22N6O2/c1-23-10-15(26-18(23)25)11-24-6-3-13(4-7-24)17-21-5-2-16(22-17)14-8-19-12-20-9-14/h2,5,8-9,12-13,15H,3-4,6-7,10-11H2,1H3/t15-/m1/s1
InChIKeyYXAKEZNWMYIZRB-OAHLLOKOSA-N
XLogP1.56
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
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4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
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N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide
CID 138056951
(2R)-4-[(2-methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 124985772
3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 154763839
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
CID 138038763

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 171359459) is (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is CN1C[C@H](CN2CCC(c3nccc(-c4cncnc4)n3)CC2)OC1=O.
What is the InChIKey of (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YXAKEZNWMYIZRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-10-15(26-18(23)25)11-24-6-3-13(4-7-24)17-21-5-2-16(22-17)14-8-19-12-20-9-14/h2,5,8-9,12-13,15H,3-4,6-7,10-11H2,1H3/t15-/m1/s1.
What are the key properties of (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171359459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).