(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine

C13H18N2O — CID 97356672

IUPAC(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCOc1ccc([C@H]2CCN(C)C(C)=N2)cc1
InChIInChI=1S/C13H18N2O/c1-10-14-13(8-9-15(10)2)11-4-6-12(16-3)7-5-11/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyYAKNABLSXYBJRZ-CYBMUJFWSA-N
MW218.30 g/mol
LogP2.49
Rot. Bonds2

About (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine

(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 97356672) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
PubChem CID97356672
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCOc1ccc([C@H]2CCN(C)C(C)=N2)cc1
InChIInChI=1S/C13H18N2O/c1-10-14-13(8-9-15(10)2)11-4-6-12(16-3)7-5-11/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyYAKNABLSXYBJRZ-CYBMUJFWSA-N
XLogP2.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
CID 117068615
2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
CID 23310773
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2-tert-butyl-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 135139397
(3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole
CID 163039581
[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 91647555
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58915298

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine (CID 97356672) is (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine is COc1ccc([C@H]2CCN(C)C(C)=N2)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is YAKNABLSXYBJRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-14-13(8-9-15(10)2)11-4-6-12(16-3)7-5-11/h4-7,13H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 97356672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).