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

C15H25N5O2 — CID 56875117

IUPAC1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-6-22-10-13(21)20-8-7-11-12(9-20)16-15(19(4)5)17-14(11)18(2)3/h6-10H2,1-5H3
InChIKeyQUXLWBHQMIRFPF-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.53
Rot. Bonds5

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

1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone (PubChem CID 56875117) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone
PubChem CID56875117
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-6-22-10-13(21)20-8-7-11-12(9-20)16-15(19(4)5)17-14(11)18(2)3/h6-10H2,1-5H3
InChIKeyQUXLWBHQMIRFPF-UHFFFAOYSA-N
XLogP0.53
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone?
The IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone (CID 56875117) is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone is CCOCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1.
What is the InChIKey of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone?
The InChIKey is QUXLWBHQMIRFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-22-10-13(21)20-8-7-11-12(9-20)16-15(19(4)5)17-14(11)18(2)3/h6-10H2,1-5H3.
What are the key properties of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone?
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone has a molecular weight of 307.40 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-ethoxyethanone is sourced from PubChem (CID 56875117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).