7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H29N7O — CID 135719759

IUPAC7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc(N(C)C)nc2)C3)CC1
InChIInChI=1S/C20H29N7O/c1-14-4-8-27(9-5-14)20-23-17-13-26(7-6-16(17)18(28)24-20)12-15-10-21-19(22-11-15)25(2)3/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,24,28)
InChIKeyJZNAVIMKCKTHEU-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.42
Rot. Bonds4

About 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719759) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719759
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc(N(C)C)nc2)C3)CC1
InChIInChI=1S/C20H29N7O/c1-14-4-8-27(9-5-14)20-23-17-13-26(7-6-16(17)18(28)24-20)12-15-10-21-19(22-11-15)25(2)3/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,24,28)
InChIKeyJZNAVIMKCKTHEU-UHFFFAOYSA-N
XLogP1.42
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719759) is 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc(N(C)C)nc2)C3)CC1.
What is the InChIKey of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JZNAVIMKCKTHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14-4-8-27(9-5-14)20-23-17-13-26(7-6-16(17)18(28)24-20)12-15-10-21-19(22-11-15)25(2)3/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,24,28).
What are the key properties of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 383.50 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).