(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone

C19H25N5O — CID 126838819

IUPAC(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
SMILESCCCCN(C)c1ccc(C(=O)N2CCc3cnc(N)nc3C2)cc1
InChIInChI=1S/C19H25N5O/c1-3-4-10-23(2)16-7-5-14(6-8-16)18(25)24-11-9-15-12-21-19(20)22-17(15)13-24/h5-8,12H,3-4,9-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyIZJIANYDWVXASE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.49
Rot. Bonds5

About (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone

(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone (PubChem CID 126838819) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone.

Molecular Properties

Compound Name(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
PubChem CID126838819
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
SMILESCCCCN(C)c1ccc(C(=O)N2CCc3cnc(N)nc3C2)cc1
InChIInChI=1S/C19H25N5O/c1-3-4-10-23(2)16-7-5-14(6-8-16)18(25)24-11-9-15-12-21-19(20)22-17(15)13-24/h5-8,12H,3-4,9-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyIZJIANYDWVXASE-UHFFFAOYSA-N
XLogP2.49
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 68679098
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153318
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone
CID 155952741
2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
CID 126830333
[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 126830084
[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230121
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
CID 69268412
[5-[butyl(methyl)amino]pyrazin-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109287203
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
3-[3-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)pyrazol-1-yl]benzonitrile
CID 167747355

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone?
The IUPAC name of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone (CID 126838819) is (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone.
What is the SMILES notation for (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone?
The canonical SMILES for (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone is CCCCN(C)c1ccc(C(=O)N2CCc3cnc(N)nc3C2)cc1.
What is the InChIKey of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone?
The InChIKey is IZJIANYDWVXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-4-10-23(2)16-7-5-14(6-8-16)18(25)24-11-9-15-12-21-19(20)22-17(15)13-24/h5-8,12H,3-4,9-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone?
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone is sourced from PubChem (CID 126838819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).