N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine

C26H33FN6 — CID 95801068

IUPACN'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C26H33FN6/c1-26(2,18-32(3)4)17-29-25-22-16-33(15-19-5-7-21(27)8-6-19)14-11-23(22)30-24(31-25)20-9-12-28-13-10-20/h5-10,12-13H,11,14-18H2,1-4H3,(H,29,30,31)
InChIKeyQQZFZVHZBXSFNV-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.24
Rot. Bonds8

About N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 95801068) has the molecular formula C26H33FN6 and a molecular weight of 448.59 g/mol. Its IUPAC name is N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID95801068
Molecular FormulaC26H33FN6
Molecular Weight448.59 g/mol
Exact Mass448.28
IUPAC NameN'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C26H33FN6/c1-26(2,18-32(3)4)17-29-25-22-16-33(15-19-5-7-21(27)8-6-19)14-11-23(22)30-24(31-25)20-9-12-28-13-10-20/h5-10,12-13H,11,14-18H2,1-4H3,(H,29,30,31)
InChIKeyQQZFZVHZBXSFNV-UHFFFAOYSA-N
XLogP4.24
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine with MolForge

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Related Compounds

N',N'-diethyl-N-[6-[(4-fluorophenyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 46953433
tert-butyl N-[3-[(6-benzyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]carbamate
CID 135151010
6-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919816
1-[4-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 46951457
2-N-[7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 110215266
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
6-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918951
6-benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 127040945
2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807
methyl 2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-methylbutanoate
CID 46953435
4-(4-fluorophenyl)-7-(pyridin-4-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381363
6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917934

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 95801068) is N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is QQZFZVHZBXSFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6/c1-26(2,18-32(3)4)17-29-25-22-16-33(15-19-5-7-21(27)8-6-19)14-11-23(22)30-24(31-25)20-9-12-28-13-10-20/h5-10,12-13H,11,14-18H2,1-4H3,(H,29,30,31).
What are the key properties of N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 448.59 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 95801068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).