(3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol

C18H23N3O2 — CID 91843104

IUPAC(3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1nc(C)cc(-c2ccccc2)n1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C18H23N3O2/c1-3-21(16-11-23-12-17(16)22)10-18-19-13(2)9-15(20-18)14-7-5-4-6-8-14/h4-9,16-17,22H,3,10-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyKUIQHHRAPHIVJM-IRXDYDNUSA-N
MW313.40 g/mol
LogP2.03
Rot. Bonds5

About (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol

(3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol (PubChem CID 91843104) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol
PubChem CID91843104
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1nc(C)cc(-c2ccccc2)n1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C18H23N3O2/c1-3-21(16-11-23-12-17(16)22)10-18-19-13(2)9-15(20-18)14-7-5-4-6-8-14/h4-9,16-17,22H,3,10-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyKUIQHHRAPHIVJM-IRXDYDNUSA-N
XLogP2.03
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol with MolForge

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Related Compounds

(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]pyrrolidine-3,4-diol
CID 44568592
1-(2-Amino-6-methyl-4-pyrimidinyl)-4-benzyl-1,4-diazepan-6-ol
CID 72864054
4-[1-(2-Methoxyethyl)pyrrolidin-2-yl]-2-phenylpyrimidine
CID 110253683
4-[4-[6-(Dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol
CID 118740122
{3-Allyl-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperidin-3-yl}methanol
CID 70737427
2-[2-[[2-(Octylamino)-6-phenyl-pyrimidin-4-yl]amino]ethoxy]ethanol
CID 5276806
8-[6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4052853
8-[6-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4217975
2-[4-[6-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 4382074
1-[6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-4-ol
CID 5018084
2-[4-[6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 5091019
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70773157

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol (CID 91843104) is (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol is CCN(Cc1nc(C)cc(-c2ccccc2)n1)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol?
The InChIKey is KUIQHHRAPHIVJM-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21(16-11-23-12-17(16)22)10-18-19-13(2)9-15(20-18)14-7-5-4-6-8-14/h4-9,16-17,22H,3,10-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol?
(3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol has a molecular weight of 313.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[ethyl-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 91843104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).