(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone

C16H18N2O2 — CID 102949992

IUPAC(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-7-5-11(6-8-12)15(19)13-9-14(20-4)18-10-17-13/h5-10H,1-4H3
InChIKeyBOQQHCKGJXILCK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.01
Rot. Bonds3

About (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone

(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 102949992) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
PubChem CID102949992
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-7-5-11(6-8-12)15(19)13-9-14(20-4)18-10-17-13/h5-10H,1-4H3
InChIKeyBOQQHCKGJXILCK-UHFFFAOYSA-N
XLogP3.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 102949952
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950039
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950174
(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
CID 164663087
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
(4-tert-butylphenyl)-[2-(2-methoxy-5-methylphenyl)-3-methylimidazol-4-yl]methanone
CID 130472029
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
4-[(6-methoxypyrimidin-4-yl)-methylamino]benzoic acid
CID 113442769

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone (CID 102949992) is (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)c2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is BOQQHCKGJXILCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)12-7-5-11(6-8-12)15(19)13-9-14(20-4)18-10-17-13/h5-10H,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 102949992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).