4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol

C22H22N6O — CID 117089740

IUPAC4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C22H22N6O/c1-16-14-25-22(26-18-4-6-19(7-5-18)28-13-12-23-15-28)27-21(16)24-11-10-17-2-8-20(29)9-3-17/h2-9,12-15,29H,10-11H2,1H3,(H2,24,25,26,27)
InChIKeySWSFNKFROLAKLB-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.07
Rot. Bonds7

About 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117089740) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117089740
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C22H22N6O/c1-16-14-25-22(26-18-4-6-19(7-5-18)28-13-12-23-15-28)27-21(16)24-11-10-17-2-8-20(29)9-3-17/h2-9,12-15,29H,10-11H2,1H3,(H2,24,25,26,27)
InChIKeySWSFNKFROLAKLB-UHFFFAOYSA-N
XLogP4.07
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117085289
4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117088563
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
CID 117089303
3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]-N-prop-1-en-2-ylbenzenesulfonamide
CID 89190588
5-bromo-2-N-(4-imidazol-1-ylphenyl)-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 142898991
2-hydrazinyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340
4-[[4-(2-imidazol-1-ylethylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 68820842
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
4-[[4-[2-(1H-imidazol-2-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 68820838
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol (CID 117089740) is 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol is Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is SWSFNKFROLAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-16-14-25-22(26-18-4-6-19(7-5-18)28-13-12-23-15-28)27-21(16)24-11-10-17-2-8-20(29)9-3-17/h2-9,12-15,29H,10-11H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 386.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117089740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).