butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

C19H25N5O2 — CID 56893127

IUPACbutyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILESCCCCOC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
InChIInChI=1S/C19H25N5O2/c1-4-5-12-26-19(25)24-11-8-15-16(13-24)21-17(22-18(15)23(2)3)14-6-9-20-10-7-14/h6-7,9-10H,4-5,8,11-13H2,1-3H3
InChIKeyKASJQKHRBAJTDJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.90
Rot. Bonds5

About butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 56893127) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namebutyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
PubChem CID56893127
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Namebutyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILESCCCCOC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
InChIInChI=1S/C19H25N5O2/c1-4-5-12-26-19(25)24-11-8-15-16(13-24)21-17(22-18(15)23(2)3)14-6-9-20-10-7-14/h6-7,9-10H,4-5,8,11-13H2,1-3H3
InChIKeyKASJQKHRBAJTDJ-UHFFFAOYSA-N
XLogP2.90
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate 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 butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (CID 56893127) is butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is CCCCOC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1.
What is the InChIKey of butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is KASJQKHRBAJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-5-12-26-19(25)24-11-8-15-16(13-24)21-17(22-18(15)23(2)3)14-6-9-20-10-7-14/h6-7,9-10H,4-5,8,11-13H2,1-3H3.
What are the key properties of butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 56893127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).