2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol

C13H19N3O2 — CID 110935572

IUPAC2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
SMILESCCOc1cc(CNC2=NCCCN2)ccc1O
InChIInChI=1S/C13H19N3O2/c1-2-18-12-8-10(4-5-11(12)17)9-16-13-14-6-3-7-15-13/h4-5,8,17H,2-3,6-7,9H2,1H3,(H2,14,15,16)
InChIKeyBLLZJRPUIWJULV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds4

About 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol

2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol (PubChem CID 110935572) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
PubChem CID110935572
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
SMILESCCOc1cc(CNC2=NCCCN2)ccc1O
InChIInChI=1S/C13H19N3O2/c1-2-18-12-8-10(4-5-11(12)17)9-16-13-14-6-3-7-15-13/h4-5,8,17H,2-3,6-7,9H2,1H3,(H2,14,15,16)
InChIKeyBLLZJRPUIWJULV-UHFFFAOYSA-N
XLogP1.23
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
CID 119113056
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
2-methoxy-4-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethyl]phenol;hydrobromide
CID 166242009
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111110782
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
2-ethoxy-4-[[(4-methyl-3-pyridinyl)amino]methyl]phenol
CID 63329273
2-ethoxy-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43535020

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol (CID 110935572) is 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol is CCOc1cc(CNC2=NCCCN2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The InChIKey is BLLZJRPUIWJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-12-8-10(4-5-11(12)17)9-16-13-14-6-3-7-15-13/h4-5,8,17H,2-3,6-7,9H2,1H3,(H2,14,15,16).
What are the key properties of 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol has a molecular weight of 249.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol is sourced from PubChem (CID 110935572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).