2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol

C12H14N4O — CID 79915703

IUPAC2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
SMILESNc1cncnc1NCC(O)c1ccccc1
InChIInChI=1S/C12H14N4O/c13-10-6-14-8-16-12(10)15-7-11(17)9-4-2-1-3-5-9/h1-6,8,11,17H,7,13H2,(H,14,15,16)
InChIKeyQTSXGJYJLMBGLR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.20
Rot. Bonds4

About 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol

2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 79915703) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID79915703
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
SMILESNc1cncnc1NCC(O)c1ccccc1
InChIInChI=1S/C12H14N4O/c13-10-6-14-8-16-12(10)15-7-11(17)9-4-2-1-3-5-9/h1-6,8,11,17H,7,13H2,(H,14,15,16)
InChIKeyQTSXGJYJLMBGLR-UHFFFAOYSA-N
XLogP1.20
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80907262
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
1-phenyl-2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethanol
CID 56900977
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
CID 105366704
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 79075229
(1R)-1-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)ethanol
CID 2576158

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol (CID 79915703) is 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol is Nc1cncnc1NCC(O)c1ccccc1.
What is the InChIKey of 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is QTSXGJYJLMBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-6-14-8-16-12(10)15-7-11(17)9-4-2-1-3-5-9/h1-6,8,11,17H,7,13H2,(H,14,15,16).
What are the key properties of 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol?
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol has a molecular weight of 230.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 79915703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).