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

C24H29FN6 — CID 110215266

IUPAC2-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
SMILESCC(CN(C)C)Nc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H29FN6/c1-17(14-30(2)3)27-23-20-11-13-31(15-18-7-9-19(25)10-8-18)16-22(20)28-24(29-23)21-6-4-5-12-26-21/h4-10,12,17H,11,13-16H2,1-3H3,(H,27,28,29)
InChIKeyWOIRMFIHYUZHPI-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.60
Rot. Bonds7

About 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

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 (PubChem CID 110215266) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID110215266
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name2-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
SMILESCC(CN(C)C)Nc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H29FN6/c1-17(14-30(2)3)27-23-20-11-13-31(15-18-7-9-19(25)10-8-18)16-22(20)28-24(29-23)21-6-4-5-12-26-21/h4-10,12,17H,11,13-16H2,1-3H3,(H,27,28,29)
InChIKeyWOIRMFIHYUZHPI-UHFFFAOYSA-N
XLogP3.60
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-N-[7-[(4-methoxyphenyl)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 46953423
7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95799511
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
1-[4-[(4-fluorophenyl)methylamino]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70780138
7-[(3-fluoro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865688
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133480741
7-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865469
N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 46950835
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681023
7-[(2,5-difluorophenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863851
2-pyridin-2-yl-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931585

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CN(C)C)Nc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of 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?
The InChIKey is WOIRMFIHYUZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c1-17(14-30(2)3)27-23-20-11-13-31(15-18-7-9-19(25)10-8-18)16-22(20)28-24(29-23)21-6-4-5-12-26-21/h4-10,12,17H,11,13-16H2,1-3H3,(H,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 420.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110215266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).