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

C25H31FN6 — CID 46953433

IUPACN',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
SMILESCCN(CC)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C25H31FN6/c1-3-31(4-2)15-13-28-25-22-18-32(17-19-7-9-21(26)10-8-19)14-11-23(22)29-24(30-25)20-6-5-12-27-16-20/h5-10,12,16H,3-4,11,13-15,17-18H2,1-2H3,(H,28,29,30)
InChIKeyDUZNDKZZHWIMHK-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.99
Rot. Bonds9

About 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

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 (PubChem CID 46953433) has the molecular formula C25H31FN6 and a molecular weight of 434.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN',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
PubChem CID46953433
Molecular FormulaC25H31FN6
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC NameN',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
SMILESCCN(CC)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C25H31FN6/c1-3-31(4-2)15-13-28-25-22-18-32(17-19-7-9-21(26)10-8-19)14-11-23(22)29-24(30-25)20-6-5-12-27-16-20/h5-10,12,16H,3-4,11,13-15,17-18H2,1-2H3,(H,28,29,30)
InChIKeyDUZNDKZZHWIMHK-UHFFFAOYSA-N
XLogP3.99
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914228
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
6-[(5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947340
7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930307
1-[4-(hexylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56874581
6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915383
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
6-[(2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944567
6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917818
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 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?
The InChIKey is DUZNDKZZHWIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6/c1-3-31(4-2)15-13-28-25-22-18-32(17-19-7-9-21(26)10-8-19)14-11-23(22)29-24(30-25)20-6-5-12-27-16-20/h5-10,12,16H,3-4,11,13-15,17-18H2,1-2H3,(H,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 434.56 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46953433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).