5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one

C16H21N7O2 — CID 118771885

IUPAC5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]c(=O)cn1)C2
InChIInChI=1S/C16H21N7O2/c1-21(2)14-10-5-6-23(9-12(10)19-16(20-14)22(3)4)15(25)11-7-18-13(24)8-17-11/h7-8H,5-6,9H2,1-4H3,(H,18,24)
InChIKeyGKRHPIXWGCITSD-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.11
Rot. Bonds3

About 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one

5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one (PubChem CID 118771885) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
PubChem CID118771885
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]c(=O)cn1)C2
InChIInChI=1S/C16H21N7O2/c1-21(2)14-10-5-6-23(9-12(10)19-16(20-14)22(3)4)15(25)11-7-18-13(24)8-17-11/h7-8H,5-6,9H2,1-4H3,(H,18,24)
InChIKeyGKRHPIXWGCITSD-UHFFFAOYSA-N
XLogP-0.11
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one (CID 118771885) is 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]c(=O)cn1)C2.
What is the InChIKey of 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one?
The InChIKey is GKRHPIXWGCITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-21(2)14-10-5-6-23(9-12(10)19-16(20-14)22(3)4)15(25)11-7-18-13(24)8-17-11/h7-8H,5-6,9H2,1-4H3,(H,18,24).
What are the key properties of 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one?
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one has a molecular weight of 343.39 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 118771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).