N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C17H23N5 — CID 56752631

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(C)Cc1cccc(CNc2ncnc3c2CCNC3)c1
InChIInChI=1S/C17H23N5/c1-22(2)11-14-5-3-4-13(8-14)9-19-17-15-6-7-18-10-16(15)20-12-21-17/h3-5,8,12,18H,6-7,9-11H2,1-2H3,(H,19,20,21)
InChIKeyGJOWQKDKEOLSFK-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.80
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56752631) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56752631
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(C)Cc1cccc(CNc2ncnc3c2CCNC3)c1
InChIInChI=1S/C17H23N5/c1-22(2)11-14-5-3-4-13(8-14)9-19-17-15-6-7-18-10-16(15)20-12-21-17/h3-5,8,12,18H,6-7,9-11H2,1-2H3,(H,19,20,21)
InChIKeyGJOWQKDKEOLSFK-UHFFFAOYSA-N
XLogP1.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-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 N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56752631) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CN(C)Cc1cccc(CNc2ncnc3c2CCNC3)c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is GJOWQKDKEOLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-22(2)11-14-5-3-4-13(8-14)9-19-17-15-6-7-18-10-16(15)20-12-21-17/h3-5,8,12,18H,6-7,9-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56752631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).