3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol

C18H18N4O — CID 133305899

IUPAC3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1cc(NCCc2cccc(O)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18N4O/c1-13-11-17(20-10-5-14-3-2-4-16(23)12-14)22-18(21-13)15-6-8-19-9-7-15/h2-4,6-9,11-12,23H,5,10H2,1H3,(H,20,21,22)
InChIKeyRESLTGOCFXOXPD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.21
Rot. Bonds5

About 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol

3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 133305899) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol
PubChem CID133305899
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1cc(NCCc2cccc(O)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18N4O/c1-13-11-17(20-10-5-14-3-2-4-16(23)12-14)22-18(21-13)15-6-8-19-9-7-15/h2-4,6-9,11-12,23H,5,10H2,1H3,(H,20,21,22)
InChIKeyRESLTGOCFXOXPD-UHFFFAOYSA-N
XLogP3.21
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol
CID 24863368
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine
CID 10200069
3-[2-(pyrimidin-2-ylamino)ethyl]phenol
CID 133291508
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
CID 48931327
4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349530
6-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 48932126
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 94750026
6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 91258180
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol (CID 133305899) is 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol is Cc1cc(NCCc2cccc(O)c2)nc(-c2ccncc2)n1.
What is the InChIKey of 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is RESLTGOCFXOXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-11-17(20-10-5-14-3-2-4-16(23)12-14)22-18(21-13)15-6-8-19-9-7-15/h2-4,6-9,11-12,23H,5,10H2,1H3,(H,20,21,22).
What are the key properties of 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol?
3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 306.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 133305899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).