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

C17H24N6O3 — CID 56875937

IUPAC5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1cc(=O)[nH]o1)C2
InChIInChI=1S/C17H24N6O3/c1-21(2)16-12-7-8-23(10-13(12)18-17(19-16)22(3)4)15(25)6-5-11-9-14(24)20-26-11/h9H,5-8,10H2,1-4H3,(H,20,24)
InChIKeyPYPPDZIXWCIDMA-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.41
Rot. Bonds5

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

5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one (PubChem CID 56875937) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one
PubChem CID56875937
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1cc(=O)[nH]o1)C2
InChIInChI=1S/C17H24N6O3/c1-21(2)16-12-7-8-23(10-13(12)18-17(19-16)22(3)4)15(25)6-5-11-9-14(24)20-26-11/h9H,5-8,10H2,1-4H3,(H,20,24)
InChIKeyPYPPDZIXWCIDMA-UHFFFAOYSA-N
XLogP0.41
TPSA98.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one with MolForge

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Related Compounds

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CID 88271311
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CID 143301920
CID 143301920
CID 56861515
CID 56861515
CID 56864132
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CID 56867450
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CID 56871629
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CID 56891441
CID 56891441

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one (CID 56875937) is 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1cc(=O)[nH]o1)C2.
What is the InChIKey of 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The InChIKey is PYPPDZIXWCIDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-21(2)16-12-7-8-23(10-13(12)18-17(19-16)22(3)4)15(25)6-5-11-9-14(24)20-26-11/h9H,5-8,10H2,1-4H3,(H,20,24).
What are the key properties of 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one?
5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one has a molecular weight of 360.42 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-1,2-oxazol-3-one is sourced from PubChem (CID 56875937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).