2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol

C20H18N4O2 — CID 70963269

IUPAC2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1noc2cc(-c3cc(NCC(O)c4ccccc4)ncn3)ccc12
InChIInChI=1S/C20H18N4O2/c1-13-16-8-7-15(9-19(16)26-24-13)17-10-20(23-12-22-17)21-11-18(25)14-5-3-2-4-6-14/h2-10,12,18,25H,11H2,1H3,(H,21,22,23)
InChIKeyBQFXADFYLUAQEA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.74
Rot. Bonds5

About 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol

2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 70963269) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID70963269
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1noc2cc(-c3cc(NCC(O)c4ccccc4)ncn3)ccc12
InChIInChI=1S/C20H18N4O2/c1-13-16-8-7-15(9-19(16)26-24-13)17-10-20(23-12-22-17)21-11-18(25)14-5-3-2-4-6-14/h2-10,12,18,25H,11H2,1H3,(H,21,22,23)
InChIKeyBQFXADFYLUAQEA-UHFFFAOYSA-N
XLogP3.74
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-2-[[6-[3-(trifluoromethyl)-1,2-benzoxazol-6-yl]pyrimidin-4-yl]amino]ethanol
CID 143851574
(1R)-2-[[6-[3-(1,1-difluoroethyl)-1,2-benzoxazol-6-yl]pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 143851581
(1R)-N'-[6-[3-(1,1,2,2,2-pentafluoroethyl)-1,2-benzoxazol-6-yl]pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 51038073
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
1-[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]-2-phenylethane-1,2-diamine
CID 66957857
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol (CID 70963269) is 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol is Cc1noc2cc(-c3cc(NCC(O)c4ccccc4)ncn3)ccc12.
What is the InChIKey of 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is BQFXADFYLUAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-16-8-7-15(9-19(16)26-24-13)17-10-20(23-12-22-17)21-11-18(25)14-5-3-2-4-6-14/h2-10,12,18,25H,11H2,1H3,(H,21,22,23).
What are the key properties of 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 346.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 70963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).