1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C20H28N6O — CID 56860946

IUPAC1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NC(C)Cc2ncccc2C)C1
InChIInChI=1S/C20H28N6O/c1-13-7-6-9-21-17(13)11-14(2)22-19-16-8-10-26(15(3)27)12-18(16)23-20(24-19)25(4)5/h6-7,9,14H,8,10-12H2,1-5H3,(H,22,23,24)
InChIKeyVVZISWSYILIVII-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56860946) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56860946
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2NC(C)Cc2ncccc2C)C1
InChIInChI=1S/C20H28N6O/c1-13-7-6-9-21-17(13)11-14(2)22-19-16-8-10-26(15(3)27)12-18(16)23-20(24-19)25(4)5/h6-7,9,14H,8,10-12H2,1-5H3,(H,22,23,24)
InChIKeyVVZISWSYILIVII-UHFFFAOYSA-N
XLogP2.19
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.19
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-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56860946) is 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2NC(C)Cc2ncccc2C)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is VVZISWSYILIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-13-7-6-9-21-17(13)11-14(2)22-19-16-8-10-26(15(3)27)12-18(16)23-20(24-19)25(4)5/h6-7,9,14H,8,10-12H2,1-5H3,(H,22,23,24).
What are the key properties of 1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 368.49 g/mol, XLogP of 2.19, 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-[1-(3-methyl-2-pyridinyl)propan-2-ylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56860946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).