N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C18H23FN4 — CID 167080419

IUPACN-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1CCN(c1ccccc1F)C2)C(C)(C)C
InChIInChI=1S/C18H23FN4/c1-18(2,3)22(4)17-13-9-10-23(11-15(13)20-12-21-17)16-8-6-5-7-14(16)19/h5-8,12H,9-11H2,1-4H3
InChIKeyRQBQSSAVSFJBGF-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.41
Rot. Bonds2

About N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 167080419) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID167080419
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1CCN(c1ccccc1F)C2)C(C)(C)C
InChIInChI=1S/C18H23FN4/c1-18(2,3)22(4)17-13-9-10-23(11-15(13)20-12-21-17)16-8-6-5-7-14(16)19/h5-8,12H,9-11H2,1-4H3
InChIKeyRQBQSSAVSFJBGF-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(2-fluorophenyl)pyrrolidin-3-one
CID 23052790
N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 142546570
6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773231
2-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-fluorophenol
CID 159372145
6-ethylsulfonyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 46050874
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 59021481
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19145631
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 167080419) is N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CN(c1ncnc2c1CCN(c1ccccc1F)C2)C(C)(C)C.
What is the InChIKey of N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is RQBQSSAVSFJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-18(2,3)22(4)17-13-9-10-23(11-15(13)20-12-21-17)16-8-6-5-7-14(16)19/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 314.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-(2-fluorophenyl)-N-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167080419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).