6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C19H21Cl2N3O3 — CID 178188532

IUPAC6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1cc(C2CC(c3ccc(Cl)c(Cl)c3)NC(N)=N2)cc(OC)c1OC
InChIInChI=1S/C19H21Cl2N3O3/c1-25-16-7-11(8-17(26-2)18(16)27-3)15-9-14(23-19(22)24-15)10-4-5-12(20)13(21)6-10/h4-8,14-15H,9H2,1-3H3,(H3,22,23,24)
InChIKeyNPJUUAUHSSWAHX-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.11
Rot. Bonds5

About 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178188532) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178188532
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1cc(C2CC(c3ccc(Cl)c(Cl)c3)NC(N)=N2)cc(OC)c1OC
InChIInChI=1S/C19H21Cl2N3O3/c1-25-16-7-11(8-17(26-2)18(16)27-3)15-9-14(23-19(22)24-15)10-4-5-12(20)13(21)6-10/h4-8,14-15H,9H2,1-3H3,(H3,22,23,24)
InChIKeyNPJUUAUHSSWAHX-UHFFFAOYSA-N
XLogP4.11
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202226
4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202191
6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202150
6-(2,3-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202174
6-(2,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188490
4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188498
(5R,7R)-5-(3,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1085818
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202152
(4R)-4-(4-chloro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185245
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
CID 82996110

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178188532) is 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is COc1cc(C2CC(c3ccc(Cl)c(Cl)c3)NC(N)=N2)cc(OC)c1OC.
What is the InChIKey of 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is NPJUUAUHSSWAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-25-16-7-11(8-17(26-2)18(16)27-3)15-9-14(23-19(22)24-15)10-4-5-12(20)13(21)6-10/h4-8,14-15H,9H2,1-3H3,(H3,22,23,24).
What are the key properties of 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 410.30 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178188532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).