2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

C18H22N8O3 — CID 90544640

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cc(N3CCCCC3)ncn2)n(C)c1=O
InChIInChI=1S/C18H22N8O3/c1-23-16-15(17(28)24(2)18(23)29)26(11-21-16)9-14(27)22-12-8-13(20-10-19-12)25-6-4-3-5-7-25/h8,10-11H,3-7,9H2,1-2H3,(H,19,20,22,27)
InChIKeyWZGMRUIDJJMOPO-UHFFFAOYSA-N
MW398.43 g/mol
LogP-0.15
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90544640) has the molecular formula C18H22N8O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90544640
Molecular FormulaC18H22N8O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cc(N3CCCCC3)ncn2)n(C)c1=O
InChIInChI=1S/C18H22N8O3/c1-23-16-15(17(28)24(2)18(23)29)26(11-21-16)9-14(27)22-12-8-13(20-10-19-12)25-6-4-3-5-7-25/h8,10-11H,3-7,9H2,1-2H3,(H,19,20,22,27)
InChIKeyWZGMRUIDJJMOPO-UHFFFAOYSA-N
XLogP-0.15
TPSA119.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544343
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546186
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
CID 88570004
N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 743810
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethynylphenyl)acetamide
CID 164524269
(3S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidine-3-carboxylic acid
CID 92659273
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544256
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide
CID 26889875
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (CID 90544640) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(N3CCCCC3)ncn2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is WZGMRUIDJJMOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3/c1-23-16-15(17(28)24(2)18(23)29)26(11-21-16)9-14(27)22-12-8-13(20-10-19-12)25-6-4-3-5-7-25/h8,10-11H,3-7,9H2,1-2H3,(H,19,20,22,27).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 398.43 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).