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

C16H18F2N4 — CID 86773231

IUPAC6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1CN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C16H18F2N4/c1-21(2)16-12-9-22(7-6-14(12)19-10-20-16)8-11-4-3-5-13(17)15(11)18/h3-5,10H,6-9H2,1-2H3
InChIKeyWNFDVBVFDKWXCL-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.38
Rot. Bonds3

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

6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 86773231) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID86773231
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1CN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C16H18F2N4/c1-21(2)16-12-9-22(7-6-14(12)19-10-20-16)8-11-4-3-5-13(17)15(11)18/h3-5,10H,6-9H2,1-2H3
InChIKeyWNFDVBVFDKWXCL-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 86773231) is 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CN(C)c1ncnc2c1CN(Cc1cccc(F)c1F)CC2.
What is the InChIKey of 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WNFDVBVFDKWXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4/c1-21(2)16-12-9-22(7-6-14(12)19-10-20-16)8-11-4-3-5-13(17)15(11)18/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 304.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluorophenyl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86773231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).