(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol

C14H17N3O2 — CID 97116725

IUPAC(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol
SMILESCOc1ccc([C@@](C)(O)CNc2ccncn2)cc1
InChIInChI=1S/C14H17N3O2/c1-14(18,9-16-13-7-8-15-10-17-13)11-3-5-12(19-2)6-4-11/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)/t14-/m0/s1
InChIKeyOWZRECMJFBTFIL-AWEZNQCLSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol

(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol (PubChem CID 97116725) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol
PubChem CID97116725
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol
SMILESCOc1ccc([C@@](C)(O)CNc2ccncn2)cc1
InChIInChI=1S/C14H17N3O2/c1-14(18,9-16-13-7-8-15-10-17-13)11-3-5-12(19-2)6-4-11/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)/t14-/m0/s1
InChIKeyOWZRECMJFBTFIL-AWEZNQCLSA-N
XLogP1.80
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
CID 106278325
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
CID 117084589
2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine
CID 133304220
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol (CID 97116725) is (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol is COc1ccc([C@@](C)(O)CNc2ccncn2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol?
The InChIKey is OWZRECMJFBTFIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(18,9-16-13-7-8-15-10-17-13)11-3-5-12(19-2)6-4-11/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)/t14-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol?
(2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol has a molecular weight of 259.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-ol is sourced from PubChem (CID 97116725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).