8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C24H22FN5O — CID 24989869

IUPAC8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N4CCCN=C43)c2)c1F
InChIInChI=1S/C24H22FN5O/c1-31-20-8-3-7-19(21(20)25)16-5-2-6-18(15-16)24(17-9-12-27-13-10-17)22-28-11-4-14-30(22)23(26)29-24/h2-3,5-10,12-13,15H,4,11,14H2,1H3,(H2,26,29)
InChIKeyQPJHVYYOFCYPRT-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.57
Rot. Bonds4

About 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24989869) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID24989869
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N4CCCN=C43)c2)c1F
InChIInChI=1S/C24H22FN5O/c1-31-20-8-3-7-19(21(20)25)16-5-2-6-18(15-16)24(17-9-12-27-13-10-17)22-28-11-4-14-30(22)23(26)29-24/h2-3,5-10,12-13,15H,4,11,14H2,1H3,(H2,26,29)
InChIKeyQPJHVYYOFCYPRT-UHFFFAOYSA-N
XLogP3.57
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-4H-imidazo[1,5-a]pyrimidin-1-ium-6-amine
CID 143594432
(8S)-8-[3-(4-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 59837908
acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24990256
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
9-[3-(2-fluoro-3-pyridinyl)phenyl]-9-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydroimidazo[1,5-a][1,3]diazepin-7-amine
CID 25184936
[4-[6-amino-8-[3-(3-chloro-2-fluorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] cyclopropanesulfonate
CID 24896888
(8R)-8-(3-bromophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 129386819
[3-[6-amino-8-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899869
4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
CID 71032880
8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 11618427
acetic acid;[4-[6-amino-8-[3-(5-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899105

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 24989869) is 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N4CCCN=C43)c2)c1F.
What is the InChIKey of 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is QPJHVYYOFCYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-31-20-8-3-7-19(21(20)25)16-5-2-6-18(15-16)24(17-9-12-27-13-10-17)22-28-11-4-14-30(22)23(26)29-24/h2-3,5-10,12-13,15H,4,11,14H2,1H3,(H2,26,29).
What are the key properties of 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 415.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24989869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).