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

C18H30N6O2 — CID 56862658

IUPAC1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N2CCN(CCCO)CC2)C1
InChIInChI=1S/C18H30N6O2/c1-14(26)24-7-5-15-16(13-24)19-18(21(2)3)20-17(15)23-10-8-22(9-11-23)6-4-12-25/h25H,4-13H2,1-3H3
InChIKeyBLFPVDKLEFGZLA-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.05
Rot. Bonds5

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

1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56862658) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56862658
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N2CCN(CCCO)CC2)C1
InChIInChI=1S/C18H30N6O2/c1-14(26)24-7-5-15-16(13-24)19-18(21(2)3)20-17(15)23-10-8-22(9-11-23)6-4-12-25/h25H,4-13H2,1-3H3
InChIKeyBLFPVDKLEFGZLA-UHFFFAOYSA-N
XLogP-0.05
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56862658) is 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2N2CCN(CCCO)CC2)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is BLFPVDKLEFGZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-14(26)24-7-5-15-16(13-24)19-18(21(2)3)20-17(15)23-10-8-22(9-11-23)6-4-12-25/h25H,4-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 362.48 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56862658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).