4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol

C15H20N4O — CID 80797730

IUPAC4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCCNc1cc(NCCc2ccc(O)cc2)nc(C)n1
InChIInChI=1S/C15H20N4O/c1-3-16-14-10-15(19-11(2)18-14)17-9-8-12-4-6-13(20)7-5-12/h4-7,10,20H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPSNBRLDLIYONGR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.58
Rot. Bonds6

About 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 80797730) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
PubChem CID80797730
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCCNc1cc(NCCc2ccc(O)cc2)nc(C)n1
InChIInChI=1S/C15H20N4O/c1-3-16-14-10-15(19-11(2)18-14)17-9-8-12-4-6-13(20)7-5-12/h4-7,10,20H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPSNBRLDLIYONGR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 122293512
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol (CID 80797730) is 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol is CCNc1cc(NCCc2ccc(O)cc2)nc(C)n1.
What is the InChIKey of 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is PSNBRLDLIYONGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-16-14-10-15(19-11(2)18-14)17-9-8-12-4-6-13(20)7-5-12/h4-7,10,20H,3,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 80797730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).