7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C25H28FN5 — CID 92622762

IUPAC7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1ccccc1-c1ccccc1F)C2
InChIInChI=1S/C25H28FN5/c1-27-24-20-12-14-31(16-23(20)29-25(30-24)22-11-6-13-28-22)15-17-7-2-3-8-18(17)19-9-4-5-10-21(19)26/h2-5,7-10,22,28H,6,11-16H2,1H3,(H,27,29,30)/t22-/m0/s1
InChIKeyVKHIQYYCYDLXEG-QFIPXVFZSA-N
MW417.53 g/mol
LogP4.31
Rot. Bonds5

About 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 92622762) has the molecular formula C25H28FN5 and a molecular weight of 417.53 g/mol. Its IUPAC name is 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID92622762
Molecular FormulaC25H28FN5
Molecular Weight417.53 g/mol
Exact Mass417.23
IUPAC Name7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1ccccc1-c1ccccc1F)C2
InChIInChI=1S/C25H28FN5/c1-27-24-20-12-14-31(16-23(20)29-25(30-24)22-11-6-13-28-22)15-17-7-2-3-8-18(17)19-9-4-5-10-21(19)26/h2-5,7-10,22,28H,6,11-16H2,1H3,(H,27,29,30)/t22-/m0/s1
InChIKeyVKHIQYYCYDLXEG-QFIPXVFZSA-N
XLogP4.31
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Revaprazan
CID 204104
Importazole
CID 2949965
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Revaprazan Hydrochloride
CID 204103
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
A-940894
CID 25071319
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 92622762) is 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1ccccc1-c1ccccc1F)C2.
What is the InChIKey of 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VKHIQYYCYDLXEG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28FN5/c1-27-24-20-12-14-31(16-23(20)29-25(30-24)22-11-6-13-28-22)15-17-7-2-3-8-18(17)19-9-4-5-10-21(19)26/h2-5,7-10,22,28H,6,11-16H2,1H3,(H,27,29,30)/t22-/m0/s1.
What are the key properties of 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 417.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-2-[(2S)-pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92622762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).