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

C13H15N3O2 — CID 112689970

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
SMILESCOc1ccnc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c1-18-12-7-8-14-13(16-12)15-11(9-17)10-5-3-2-4-6-10/h2-8,11,17H,9H2,1H3,(H,14,15,16)
InChIKeyPDMZYVSPFOZSEM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.63
Rot. Bonds5

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

2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol (PubChem CID 112689970) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
PubChem CID112689970
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
SMILESCOc1ccnc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c1-18-12-7-8-14-13(16-12)15-11(9-17)10-5-3-2-4-6-10/h2-8,11,17H,9H2,1H3,(H,14,15,16)
InChIKeyPDMZYVSPFOZSEM-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

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
CID 133286329
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 75433246
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
CID 131951741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol (CID 112689970) is 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol is COc1ccnc(NC(CO)c2ccccc2)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol?
The InChIKey is PDMZYVSPFOZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-12-7-8-14-13(16-12)15-11(9-17)10-5-3-2-4-6-10/h2-8,11,17H,9H2,1H3,(H,14,15,16).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol?
2-[(4-methoxypyrimidin-2-yl)amino]-2-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-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 112689970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).