2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol

C19H22N2O2 — CID 3242507

IUPAC2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol
SMILESCOc1cccc(C2=NC(C)(C)NC(c3ccccc3O)C2)c1
InChIInChI=1S/C19H22N2O2/c1-19(2)20-16(13-7-6-8-14(11-13)23-3)12-17(21-19)15-9-4-5-10-18(15)22/h4-11,17,21-22H,12H2,1-3H3
InChIKeyQUYMWGUABGLUAO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.66
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol

2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol (PubChem CID 3242507) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol
PubChem CID3242507
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol
SMILESCOc1cccc(C2=NC(C)(C)NC(c3ccccc3O)C2)c1
InChIInChI=1S/C19H22N2O2/c1-19(2)20-16(13-7-6-8-14(11-13)23-3)12-17(21-19)15-9-4-5-10-18(15)22/h4-11,17,21-22H,12H2,1-3H3
InChIKeyQUYMWGUABGLUAO-UHFFFAOYSA-N
XLogP3.66
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol?
The IUPAC name of 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol (CID 3242507) is 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol is COc1cccc(C2=NC(C)(C)NC(c3ccccc3O)C2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol?
The InChIKey is QUYMWGUABGLUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2)20-16(13-7-6-8-14(11-13)23-3)12-17(21-19)15-9-4-5-10-18(15)22/h4-11,17,21-22H,12H2,1-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol?
2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol has a molecular weight of 310.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol is sourced from PubChem (CID 3242507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).