2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol

C15H20N4O — CID 80778733

IUPAC2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCCc1c(NC)ncnc1NCC(O)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-12-14(16-2)18-10-19-15(12)17-9-13(20)11-7-5-4-6-8-11/h4-8,10,13,20H,3,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyLBAFANGKVLULRA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.23
Rot. Bonds6

About 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol

2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 80778733) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID80778733
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCCc1c(NC)ncnc1NCC(O)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-3-12-14(16-2)18-10-19-15(12)17-9-13(20)11-7-5-4-6-8-11/h4-8,10,13,20H,3,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyLBAFANGKVLULRA-UHFFFAOYSA-N
XLogP2.23
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
1-phenyl-2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethanol
CID 56900977
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80792894
(1R)-2-[[6-[3-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-yl]amino]-1-phenylethanol
CID 68640974
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine
CID 143274500
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
CID 133420036

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol (CID 80778733) is 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol is CCc1c(NC)ncnc1NCC(O)c1ccccc1.
What is the InChIKey of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is LBAFANGKVLULRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-14(16-2)18-10-19-15(12)17-9-13(20)11-7-5-4-6-8-11/h4-8,10,13,20H,3,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 272.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 80778733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).