(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C17H20N4O2 — CID 89489720

IUPAC(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-12(2)14-11-23-17(22)21(14)15-8-9-18-16(20-15)19-10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyILDGZWHBOXCENN-CQSZACIVSA-N
MW312.37 g/mol
LogP3.07
Rot. Bonds5

About (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489720) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489720
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-12(2)14-11-23-17(22)21(14)15-8-9-18-16(20-15)19-10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyILDGZWHBOXCENN-CQSZACIVSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
(S)-3-(2-(((S)-1-(5-(4-Fluoro-3-methylphenyl)pyrimidin-2-YL)ethyl)amino)pyrimidin-4-YL)-4-isopropyloxazolidin-2-one
CID 71542286
(4s)-3-{trans-4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]cyclohexyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One
CID 71660496
(4s)-3-(2-{[(1s)-1-Phenylethyl]amino}pyrimidin-4-Yl)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
CID 89490055
3-Pyridin-2-yl-8-[[(5-pyrimidin-2-yl-2-pyridinyl)amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159236
(4R)-3-[2-[[(1S)-1-[1-[4-(difluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454349
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimidin-2-yl-acetamide
CID 14330383
1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(2-methylphenyl)-1-phenylurea
CID 44412815
1-Ethyl-3-[4-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 49764911
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 53380858

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489720) is (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ILDGZWHBOXCENN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(2)14-11-23-17(22)21(14)15-8-9-18-16(20-15)19-10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).