(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one

C20H24N4O2 — CID 89490052

IUPAC(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1c1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C20H24N4O2/c25-20-24(17(14-26-20)15-8-4-3-5-9-15)18-12-13-21-19(23-18)22-16-10-6-1-2-7-11-16/h3-5,8-9,12-13,16-17H,1-2,6-7,10-11,14H2,(H,21,22,23)/t17-/m1/s1
InChIKeyRRPDLVUUBWTLNP-QGZVFWFLSA-N
MW352.44 g/mol
LogP4.31
Rot. Bonds4

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

(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 89490052) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID89490052
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1c1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C20H24N4O2/c25-20-24(17(14-26-20)15-8-4-3-5-9-15)18-12-13-21-19(23-18)22-16-10-6-1-2-7-11-16/h3-5,8-9,12-13,16-17H,1-2,6-7,10-11,14H2,(H,21,22,23)/t17-/m1/s1
InChIKeyRRPDLVUUBWTLNP-QGZVFWFLSA-N
XLogP4.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90342888
(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
CID 89489740
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89489727
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490002
3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 130285227
3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 123897635
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489720
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one
CID 11616487
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
(4S)-3-[2-[[(1S)-1-(3-cyclohexyloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349526

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 89490052) is (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1c1ccnc(NC2CCCCCC2)n1.
What is the InChIKey of (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RRPDLVUUBWTLNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20-24(17(14-26-20)15-8-4-3-5-9-15)18-12-13-21-19(23-18)22-16-10-6-1-2-7-11-16/h3-5,8-9,12-13,16-17H,1-2,6-7,10-11,14H2,(H,21,22,23)/t17-/m1/s1.
What are the key properties of (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).