2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol

C13H15N3O2 — CID 45242537

IUPAC2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
SMILESCOc1cc(NCC(O)c2ccccc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-18-13-7-12(15-9-16-13)14-8-11(17)10-5-3-2-4-6-10/h2-7,9,11,17H,8H2,1H3,(H,14,15,16)
InChIKeyJSKBYWKLLWIAII-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.63
Rot. Bonds5

About 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol

2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 45242537) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID45242537
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
SMILESCOc1cc(NCC(O)c2ccccc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-18-13-7-12(15-9-16-13)14-8-11(17)10-5-3-2-4-6-10/h2-7,9,11,17H,8H2,1H3,(H,14,15,16)
InChIKeyJSKBYWKLLWIAII-UHFFFAOYSA-N
XLogP1.63
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-2-phenylethyl)-6-methoxypyrimidin-4-amine
CID 66317864
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 103153890
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol (CID 45242537) is 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol is COc1cc(NCC(O)c2ccccc2)ncn1.
What is the InChIKey of 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is JSKBYWKLLWIAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13-7-12(15-9-16-13)14-8-11(17)10-5-3-2-4-6-10/h2-7,9,11,17H,8H2,1H3,(H,14,15,16).
What are the key properties of 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol?
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol has a molecular weight of 245.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 45242537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).