4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol

C21H25N5O — CID 117088563

IUPAC4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cnc(Nc2cccc(N(C)C)c2)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C21H25N5O/c1-15-14-23-21(24-17-5-4-6-18(13-17)26(2)3)25-20(15)22-12-11-16-7-9-19(27)10-8-16/h4-10,13-14,27H,11-12H2,1-3H3,(H2,22,23,24,25)
InChIKeyFSNUWUDGMRSDOV-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.95
Rot. Bonds7

About 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117088563) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117088563
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cnc(Nc2cccc(N(C)C)c2)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C21H25N5O/c1-15-14-23-21(24-17-5-4-6-18(13-17)26(2)3)25-20(15)22-12-11-16-7-9-19(27)10-8-16/h4-10,13-14,27H,11-12H2,1-3H3,(H2,22,23,24,25)
InChIKeyFSNUWUDGMRSDOV-UHFFFAOYSA-N
XLogP3.95
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
CID 117088869
4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 117091195
4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117089740
N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67388435
2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 117085868
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718
3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol
CID 143453173
4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
CID 117089303
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
4-[2-[[4-anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11445284
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11181674

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol (CID 117088563) is 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol is Cc1cnc(Nc2cccc(N(C)C)c2)nc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is FSNUWUDGMRSDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-14-23-21(24-17-5-4-6-18(13-17)26(2)3)25-20(15)22-12-11-16-7-9-19(27)10-8-16/h4-10,13-14,27H,11-12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 363.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117088563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).