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

C20H29N7O — CID 135719787

IUPAC7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc(N(C)C)nc2)C3)C1
InChIInChI=1S/C20H29N7O/c1-14-5-4-7-27(11-14)20-23-17-13-26(8-6-16(17)18(28)24-20)12-15-9-21-19(22-10-15)25(2)3/h9-10,14H,4-8,11-13H2,1-3H3,(H,23,24,28)
InChIKeyGYDANBZNZDZMNN-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.42
Rot. Bonds4

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

7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719787) 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-(3-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-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719787
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc(N(C)C)nc2)C3)C1
InChIInChI=1S/C20H29N7O/c1-14-5-4-7-27(11-14)20-23-17-13-26(8-6-16(17)18(28)24-20)12-15-9-21-19(22-10-15)25(2)3/h9-10,14H,4-8,11-13H2,1-3H3,(H,23,24,28)
InChIKeyGYDANBZNZDZMNN-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

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

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Related Compounds

US11530193, Example 76
CID 150726878
2-[4-[(5-Fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136954088
8-Methyl-2-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136987031
2-[4-[1-(5-Fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136987049
8-Methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 137045870
6-[1-(2-Methylaminopyrimidin-5-ylmethyl)-piperidin-4-yl]-2-piperidin-1-yl-pyrimidin-4-ol
CID 136372344
7-[(2-Aminopyrimidin-5-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680832
2-[4-(5-Ethylpyrimidin-2-yl)piperazin-1-yl]-5-fluoro-6-methyl-3,4-dihydropyrimidin-4-one
CID 154853509
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
6-{1-[4-(Dimethylamino)-5-methylpyrimidin-2-YL]piperidin-3-YL}pyrimidin-4-OL
CID 136085461
2-methyl-7-[(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136102749
7-[[2-(Dimethylamino)pyrimidin-5-yl]methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136269362

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-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-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719787) is 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-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-(3-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-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cnc(N(C)C)nc2)C3)C1.
What is the InChIKey of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GYDANBZNZDZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14-5-4-7-27(11-14)20-23-17-13-26(8-6-16(17)18(28)24-20)12-15-9-21-19(22-10-15)25(2)3/h9-10,14H,4-8,11-13H2,1-3H3,(H,23,24,28).
What are the key properties of 7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2-(3-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-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).