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

C13H19N3O — CID 110927318

IUPAC2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
SMILESCc1cc(CNC2=NCCCN2)cc(C)c1O
InChIInChI=1S/C13H19N3O/c1-9-6-11(7-10(2)12(9)17)8-16-13-14-4-3-5-15-13/h6-7,17H,3-5,8H2,1-2H3,(H2,14,15,16)
InChIKeyUWIWRGBTAJXXRL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.45
Rot. Bonds2

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

2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol (PubChem CID 110927318) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
PubChem CID110927318
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
SMILESCc1cc(CNC2=NCCCN2)cc(C)c1O
InChIInChI=1S/C13H19N3O/c1-9-6-11(7-10(2)12(9)17)8-16-13-14-4-3-5-15-13/h6-7,17H,3-5,8H2,1-2H3,(H2,14,15,16)
InChIKeyUWIWRGBTAJXXRL-UHFFFAOYSA-N
XLogP1.45
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916261
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
CID 110918662
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
CID 120655377
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918803
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111110782

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol (CID 110927318) is 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol is Cc1cc(CNC2=NCCCN2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
The InChIKey is UWIWRGBTAJXXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-11(7-10(2)12(9)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-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol?
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol has a molecular weight of 233.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol is sourced from PubChem (CID 110927318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).