4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol

C14H17N3O2 — CID 135962121

IUPAC4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
SMILESCNc1nc(-c2ccc(O)c(OC)c2)nc(C)c1C
InChIInChI=1S/C14H17N3O2/c1-8-9(2)16-14(17-13(8)15-3)10-5-6-11(18)12(7-10)19-4/h5-7,18H,1-4H3,(H,15,16,17)
InChIKeyKBWZKFYHWXGCOZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.52
Rot. Bonds3

About 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol

4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol (PubChem CID 135962121) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
PubChem CID135962121
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
SMILESCNc1nc(-c2ccc(O)c(OC)c2)nc(C)c1C
InChIInChI=1S/C14H17N3O2/c1-8-9(2)16-14(17-13(8)15-3)10-5-6-11(18)12(7-10)19-4/h5-7,18H,1-4H3,(H,15,16,17)
InChIKeyKBWZKFYHWXGCOZ-UHFFFAOYSA-N
XLogP2.52
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
CID 62913656
2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62201725
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62204014
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 62202423
2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
CID 83201653

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol (CID 135962121) is 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol is CNc1nc(-c2ccc(O)c(OC)c2)nc(C)c1C.
What is the InChIKey of 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
The InChIKey is KBWZKFYHWXGCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-9(2)16-14(17-13(8)15-3)10-5-6-11(18)12(7-10)19-4/h5-7,18H,1-4H3,(H,15,16,17).
What are the key properties of 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol?
4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol has a molecular weight of 259.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135962121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).