4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C18H21N3O2 — CID 178202191

IUPAC4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1cccc(C2CC(c3cccc(OC)c3)NC(N)=N2)c1
InChIInChI=1S/C18H21N3O2/c1-22-14-7-3-5-12(9-14)16-11-17(21-18(19)20-16)13-6-4-8-15(10-13)23-2/h3-10,16-17H,11H2,1-2H3,(H3,19,20,21)
InChIKeyZDTRUYAXQMCMMS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.79
Rot. Bonds4

About 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178202191) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178202191
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1cccc(C2CC(c3cccc(OC)c3)NC(N)=N2)c1
InChIInChI=1S/C18H21N3O2/c1-22-14-7-3-5-12(9-14)16-11-17(21-18(19)20-16)13-6-4-8-15(10-13)23-2/h3-10,16-17H,11H2,1-2H3,(H3,19,20,21)
InChIKeyZDTRUYAXQMCMMS-UHFFFAOYSA-N
XLogP2.79
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188490
6-(2,3-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202174
4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188498
6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202150
6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188532
5,7-bis(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3823657
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202152
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
(5S,7R)-5,7-bis(3-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136664084
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
5-[(1R,3R)-3-(3-methoxyphenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
CID 71129691

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178202191) is 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is COc1cccc(C2CC(c3cccc(OC)c3)NC(N)=N2)c1.
What is the InChIKey of 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ZDTRUYAXQMCMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-22-14-7-3-5-12(9-14)16-11-17(21-18(19)20-16)13-6-4-8-15(10-13)23-2/h3-10,16-17H,11H2,1-2H3,(H3,19,20,21).
What are the key properties of 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178202191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).