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

C18H30N6O2 — CID 56872378

IUPAC1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2
InChIInChI=1S/C18H30N6O2/c1-21(2)17-14-7-10-24(11-15(14)19-18(20-17)22(3)4)16(26)12-23-8-5-13(25)6-9-23/h13,25H,5-12H2,1-4H3
InChIKeyRZXSGHFVPJKNJC-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.05
Rot. Bonds4

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

1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 56872378) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID56872378
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2
InChIInChI=1S/C18H30N6O2/c1-21(2)17-14-7-10-24(11-15(14)19-18(20-17)22(3)4)16(26)12-23-8-5-13(25)6-9-23/h13,25H,5-12H2,1-4H3
InChIKeyRZXSGHFVPJKNJC-UHFFFAOYSA-N
XLogP-0.05
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone (CID 56872378) is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCC(O)CC1)C2.
What is the InChIKey of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is RZXSGHFVPJKNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-21(2)17-14-7-10-24(11-15(14)19-18(20-17)22(3)4)16(26)12-23-8-5-13(25)6-9-23/h13,25H,5-12H2,1-4H3.
What are the key properties of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone?
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 362.48 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 56872378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).