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

C18H29N5O2 — CID 70743698

IUPAC1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NCCC2CCCCO2)C1
InChIInChI=1S/C18H29N5O2/c1-13(24)23-10-8-15-16(12-23)20-18(22(2)3)21-17(15)19-9-7-14-6-4-5-11-25-14/h14H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyAKAPRWBVNICRAW-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.82
Rot. Bonds5

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

1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 70743698) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID70743698
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NCCC2CCCCO2)C1
InChIInChI=1S/C18H29N5O2/c1-13(24)23-10-8-15-16(12-23)20-18(22(2)3)21-17(15)19-9-7-14-6-4-5-11-25-14/h14H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyAKAPRWBVNICRAW-UHFFFAOYSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 70743698) is 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2NCCC2CCCCO2)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is AKAPRWBVNICRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(24)23-10-8-15-16(12-23)20-18(22(2)3)21-17(15)19-9-7-14-6-4-5-11-25-14/h14H,4-12H2,1-3H3,(H,19,20,21).
What are the key properties of 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[2-(oxan-2-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 70743698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).