3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol

C18H18N4O3 — CID 150426927

IUPAC3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
SMILESNc1nc(Nc2cccc(O)c2)ncc1-c1cccc(OCCO)c1
InChIInChI=1S/C18H18N4O3/c19-17-16(12-3-1-6-15(9-12)25-8-7-23)11-20-18(22-17)21-13-4-2-5-14(24)10-13/h1-6,9-11,23-24H,7-8H2,(H3,19,20,21,22)
InChIKeyHIYLBYQNVNLJKH-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.55
Rot. Bonds6

About 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol

3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol (PubChem CID 150426927) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
PubChem CID150426927
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
SMILESNc1nc(Nc2cccc(O)c2)ncc1-c1cccc(OCCO)c1
InChIInChI=1S/C18H18N4O3/c19-17-16(12-3-1-6-15(9-12)25-8-7-23)11-20-18(22-17)21-13-4-2-5-14(24)10-13/h1-6,9-11,23-24H,7-8H2,(H3,19,20,21,22)
InChIKeyHIYLBYQNVNLJKH-UHFFFAOYSA-N
XLogP2.55
TPSA113.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 174744657
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
CID 22607574
2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol
CID 138463296
3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
CID 4125292
5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 104609431
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate
CID 155065667
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol
CID 59262900
3-[[5-fluoro-2-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]pyrimidin-4-yl]amino]phenol
CID 11634187
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol (CID 150426927) is 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol is Nc1nc(Nc2cccc(O)c2)ncc1-c1cccc(OCCO)c1.
What is the InChIKey of 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol?
The InChIKey is HIYLBYQNVNLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-17-16(12-3-1-6-15(9-12)25-8-7-23)11-20-18(22-17)21-13-4-2-5-14(24)10-13/h1-6,9-11,23-24H,7-8H2,(H3,19,20,21,22).
What are the key properties of 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol?
3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol has a molecular weight of 338.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 150426927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).