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

C13H19N3O3 — CID 110927517

IUPAC2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
SMILESCOc1cc(CNC2=NCCCN2)cc(OC)c1O
InChIInChI=1S/C13H19N3O3/c1-18-10-6-9(7-11(19-2)12(10)17)8-16-13-14-4-3-5-15-13/h6-7,17H,3-5,8H2,1-2H3,(H2,14,15,16)
InChIKeyCXZWVOXZEKAMKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.85
Rot. Bonds4

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

2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol (PubChem CID 110927517) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
PubChem CID110927517
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
SMILESCOc1cc(CNC2=NCCCN2)cc(OC)c1O
InChIInChI=1S/C13H19N3O3/c1-18-10-6-9(7-11(19-2)12(10)17)8-16-13-14-4-3-5-15-13/h6-7,17H,3-5,8H2,1-2H3,(H2,14,15,16)
InChIKeyCXZWVOXZEKAMKU-UHFFFAOYSA-N
XLogP0.85
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110930326
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
N-[(2,4,5-trimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914310
methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085
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-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
2-methoxy-4-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethyl]phenol;hydrobromide
CID 166242009
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 3044563

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol (CID 110927517) is 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol is COc1cc(CNC2=NCCCN2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The InChIKey is CXZWVOXZEKAMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-10-6-9(7-11(19-2)12(10)17)8-16-13-14-4-3-5-15-13/h6-7,17H,3-5,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol has a molecular weight of 265.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol is sourced from PubChem (CID 110927517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).