1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone

C19H25N5OS — CID 56865271

IUPAC1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
SMILESCCCSCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
InChIInChI=1S/C19H25N5OS/c1-4-11-26-13-17(25)24-10-7-15-16(12-24)21-18(22-19(15)23(2)3)14-5-8-20-9-6-14/h5-6,8-9H,4,7,10-13H2,1-3H3
InChIKeyROVDEDAYXLCQEF-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.63
Rot. Bonds6

About 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone

1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone (PubChem CID 56865271) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
PubChem CID56865271
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
SMILESCCCSCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
InChIInChI=1S/C19H25N5OS/c1-4-11-26-13-17(25)24-10-7-15-16(12-24)21-18(22-19(15)23(2)3)14-5-8-20-9-6-14/h5-6,8-9H,4,7,10-13H2,1-3H3
InChIKeyROVDEDAYXLCQEF-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone (CID 56865271) is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone is CCCSCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone?
The InChIKey is ROVDEDAYXLCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-11-26-13-17(25)24-10-7-15-16(12-24)21-18(22-19(15)23(2)3)14-5-8-20-9-6-14/h5-6,8-9H,4,7,10-13H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone?
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone has a molecular weight of 371.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone is sourced from PubChem (CID 56865271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).