6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C18H20FN3O2 — CID 178202150

IUPAC6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)N=C(N)N2)c(OC)c1
InChIInChI=1S/C18H20FN3O2/c1-23-13-7-8-14(17(9-13)24-2)16-10-15(21-18(20)22-16)11-3-5-12(19)6-4-11/h3-9,15-16H,10H2,1-2H3,(H3,20,21,22)
InChIKeyBUWSZJDYYHNKOK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.93
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178202150) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178202150
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)N=C(N)N2)c(OC)c1
InChIInChI=1S/C18H20FN3O2/c1-23-13-7-8-14(17(9-13)24-2)16-10-15(21-18(20)22-16)11-3-5-12(19)6-4-11/h3-9,15-16H,10H2,1-2H3,(H3,20,21,22)
InChIKeyBUWSZJDYYHNKOK-UHFFFAOYSA-N
XLogP2.93
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.93
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
4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188498
6-(2,3-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202174
4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202191
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202152
6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188532
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
(5R,7S)-5-(4-fluorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 937466

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178202150) is 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(C2CC(c3ccc(F)cc3)N=C(N)N2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is BUWSZJDYYHNKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-23-13-7-8-14(17(9-13)24-2)16-10-15(21-18(20)22-16)11-3-5-12(19)6-4-11/h3-9,15-16H,10H2,1-2H3,(H3,20,21,22).
What are the key properties of 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 329.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178202150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).