4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol

C19H20N4O2 — CID 117082432

IUPAC4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCOc1ccc(-c2cc(NCCc3ccc(O)cc3)nc(N)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-16-8-4-14(5-9-16)17-12-18(23-19(20)22-17)21-11-10-13-2-6-15(24)7-3-13/h2-9,12,24H,10-11H2,1H3,(H3,20,21,22,23)
InChIKeyUHGWILVOPZIVKA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.09
Rot. Bonds6

About 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117082432) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117082432
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCOc1ccc(-c2cc(NCCc3ccc(O)cc3)nc(N)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-16-8-4-14(5-9-16)17-12-18(23-19(20)22-17)21-11-10-13-2-6-15(24)7-3-13/h2-9,12,24H,10-11H2,1H3,(H3,20,21,22,23)
InChIKeyUHGWILVOPZIVKA-UHFFFAOYSA-N
XLogP3.09
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 144972199
4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90189713
2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 162636438
4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
CID 143652230
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4,6-triamine
CID 117093415
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
CID 135509970

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol (CID 117082432) is 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol is COc1ccc(-c2cc(NCCc3ccc(O)cc3)nc(N)n2)cc1.
What is the InChIKey of 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is UHGWILVOPZIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-16-8-4-14(5-9-16)17-12-18(23-19(20)22-17)21-11-10-13-2-6-15(24)7-3-13/h2-9,12,24H,10-11H2,1H3,(H3,20,21,22,23).
What are the key properties of 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 336.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117082432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).