(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol

C16H21N3O3 — CID 95125925

IUPAC(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OC[C@@H](O)CNc2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H21N3O3/c1-11-7-12(2)19-16(18-11)17-9-13(20)10-22-15-6-4-5-14(8-15)21-3/h4-8,13,20H,9-10H2,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyUTZPYIYPMUSGRE-ZDUSSCGKSA-N
MW303.36 g/mol
LogP1.95
Rot. Bonds7

About (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol

(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 95125925) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID95125925
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OC[C@@H](O)CNc2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H21N3O3/c1-11-7-12(2)19-16(18-11)17-9-13(20)10-22-15-6-4-5-14(8-15)21-3/h4-8,13,20H,9-10H2,1-3H3,(H,17,18,19)/t13-/m0/s1
InChIKeyUTZPYIYPMUSGRE-ZDUSSCGKSA-N
XLogP1.95
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 72906038
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
CID 2770265
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol (CID 95125925) is (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OC[C@@H](O)CNc2nc(C)cc(C)n2)c1.
What is the InChIKey of (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is UTZPYIYPMUSGRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-7-12(2)19-16(18-11)17-9-13(20)10-22-15-6-4-5-14(8-15)21-3/h4-8,13,20H,9-10H2,1-3H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 303.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 95125925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).