2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol

C16H21N3O2 — CID 62913656

IUPAC2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc(C)c1C(C)C
InChIInChI=1S/C16H21N3O2/c1-9(2)14-10(3)18-15(19-16(14)17-4)11-6-7-13(21-5)12(20)8-11/h6-9,20H,1-5H3,(H,17,18,19)
InChIKeyBSDKPZOUNDBDND-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.33
Rot. Bonds4

About 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol

2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol (PubChem CID 62913656) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
PubChem CID62913656
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc(C)c1C(C)C
InChIInChI=1S/C16H21N3O2/c1-9(2)14-10(3)18-15(19-16(14)17-4)11-6-7-13(21-5)12(20)8-11/h6-9,20H,1-5H3,(H,17,18,19)
InChIKeyBSDKPZOUNDBDND-UHFFFAOYSA-N
XLogP3.33
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63480343
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
4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 135962121
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
CID 83201653
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
N,6-dimethyl-2-(3-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
CID 62915108
N,6-dimethyl-2-(5-methylfuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62914017
2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol (CID 62913656) is 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol is CNc1nc(-c2ccc(OC)c(O)c2)nc(C)c1C(C)C.
What is the InChIKey of 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol?
The InChIKey is BSDKPZOUNDBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9(2)14-10(3)18-15(19-16(14)17-4)11-6-7-13(21-5)12(20)8-11/h6-9,20H,1-5H3,(H,17,18,19).
What are the key properties of 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol?
2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol is sourced from PubChem (CID 62913656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).