3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C25H23F2N5O2 — CID 24873271

IUPAC3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1
InChIInChI=1S/C25H23F2N5O2/c1-33-20-8-6-18(7-9-20)25(22-30-14-24(26,27)15-32(22)23(28)31-25)19-5-3-4-16(10-19)17-11-21(34-2)13-29-12-17/h3-13H,14-15H2,1-2H3,(H2,28,31)
InChIKeyIMFYONIETRZRLB-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.69
Rot. Bonds5

About 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24873271) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID24873271
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1
InChIInChI=1S/C25H23F2N5O2/c1-33-20-8-6-18(7-9-20)25(22-30-14-24(26,27)15-32(22)23(28)31-25)19-5-3-4-16(10-19)17-11-21(34-2)13-29-12-17/h3-13H,14-15H2,1-2H3,(H2,28,31)
InChIKeyIMFYONIETRZRLB-UHFFFAOYSA-N
XLogP3.69
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(8r)-3,3-Difluoro-8-[4-Fluoro-3-(Pyridin-3-Yl)phenyl]-8-(4-Methoxy-3-Methylphenyl)-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 57396607
(8s)-3,3-Difluoro-8-(2'-Fluoro-3'-Methoxybiphenyl-3-Yl)-8-Pyridin-4-Yl-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 90656184
(4r)-4-[3-(2-Fluoropyridin-3-Yl)phenyl]-4-(4-Methoxyphenyl)-4,5-Dihydro-1,3-Oxazol-2-Amine
CID 44193304
8-(3-(Pyrimidin-5-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11510740
2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11532248
(8R)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11532880
(8R)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11539712
2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11632510
8-(3-(2-Fluoropyridin-3-yl)phenyl)-8-(4-methoxyphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11633041
8-[3-(2-fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 11648455
(8S)-8-[3-(2-Fluoropyridin-3-yl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11655737
(8S)-8-(3-Pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11705108

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 24873271) is 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is COc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1.
What is the InChIKey of 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is IMFYONIETRZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-33-20-8-6-18(7-9-20)25(22-30-14-24(26,27)15-32(22)23(28)31-25)19-5-3-4-16(10-19)17-11-21(34-2)13-29-12-17/h3-13H,14-15H2,1-2H3,(H2,28,31).
What are the key properties of 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 463.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24873271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).