2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol

C16H22N4O — CID 80812449

IUPAC2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCCCNc1ncnc(NC(CO)c2ccccc2)c1C
InChIInChI=1S/C16H22N4O/c1-3-9-17-15-12(2)16(19-11-18-15)20-14(10-21)13-7-5-4-6-8-13/h4-8,11,14,21H,3,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDOYRMOMLRFZXGX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds7

About 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol

2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol (PubChem CID 80812449) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
PubChem CID80812449
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCCCNc1ncnc(NC(CO)c2ccccc2)c1C
InChIInChI=1S/C16H22N4O/c1-3-9-17-15-12(2)16(19-11-18-15)20-14(10-21)13-7-5-4-6-8-13/h4-8,11,14,21H,3,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDOYRMOMLRFZXGX-UHFFFAOYSA-N
XLogP2.75
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80821688
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 81006900
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825152
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol (CID 80812449) is 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol is CCCNc1ncnc(NC(CO)c2ccccc2)c1C.
What is the InChIKey of 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol?
The InChIKey is DOYRMOMLRFZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-17-15-12(2)16(19-11-18-15)20-14(10-21)13-7-5-4-6-8-13/h4-8,11,14,21H,3,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol?
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol has a molecular weight of 286.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 80812449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).