1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol

C16H21N3O3 — CID 72906038

IUPAC1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNc2ncnc(C)c2C)c1
InChIInChI=1S/C16H21N3O3/c1-11-12(2)18-10-19-16(11)17-8-13(20)9-22-15-6-4-5-14(7-15)21-3/h4-7,10,13,20H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyHLBPAEAUWQYHDG-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.95
Rot. Bonds7

About 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol

1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 72906038) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID72906038
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNc2ncnc(C)c2C)c1
InChIInChI=1S/C16H21N3O3/c1-11-12(2)18-10-19-16(11)17-8-13(20)9-22-15-6-4-5-14(7-15)21-3/h4-7,10,13,20H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyHLBPAEAUWQYHDG-UHFFFAOYSA-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

(2S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 95125925
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
(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-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
CID 2770265
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
1-(3-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964669

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol (CID 72906038) is 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)CNc2ncnc(C)c2C)c1.
What is the InChIKey of 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is HLBPAEAUWQYHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-12(2)18-10-19-16(11)17-8-13(20)9-22-15-6-4-5-14(7-15)21-3/h4-7,10,13,20H,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol?
1-[(5,6-dimethylpyrimidin-4-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 1-[(5,6-dimethylpyrimidin-4-yl)amino]-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 72906038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).