2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol

C14H18N4O — CID 80779208

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
SMILESCc1nc(N)c(C)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-9-13(15)17-10(2)18-14(9)16-8-12(19)11-6-4-3-5-7-11/h3-7,12,19H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyISAZFROBNRXPJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds4

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 80779208) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID80779208
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
SMILESCc1nc(N)c(C)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-9-13(15)17-10(2)18-14(9)16-8-12(19)11-6-4-3-5-7-11/h3-7,12,19H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyISAZFROBNRXPJA-UHFFFAOYSA-N
XLogP1.82
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852457
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060879
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 103604242

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol (CID 80779208) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol is Cc1nc(N)c(C)c(NCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is ISAZFROBNRXPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-13(15)17-10(2)18-14(9)16-8-12(19)11-6-4-3-5-7-11/h3-7,12,19H,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol has a molecular weight of 258.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 80779208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).