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

C17H26N4O2 — CID 89490160

IUPAC(4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(NCC2CCCCC2)n1
InChIInChI=1S/C17H26N4O2/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/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyNWIDNZJLHAVRHA-CQSZACIVSA-N
MW318.42 g/mol
LogP3.45
Rot. Bonds5

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

(4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89490160) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89490160
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(NCC2CCCCC2)n1
InChIInChI=1S/C17H26N4O2/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/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyNWIDNZJLHAVRHA-CQSZACIVSA-N
XLogP3.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89490160) is (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(cyclohexylmethylamino)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-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NWIDNZJLHAVRHA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O2/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/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).