2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide

C22H34N4O3 — CID 15750284

IUPAC2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide
SMILESCCCn1c(N)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C22H34N4O3/c1-3-5-25-19(23)18(20(28)26(6-4-2)21(25)29)24-17(27)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,3-13,23H2,1-2H3,(H,24,27)
InChIKeyOFXWKOQYOXNNPP-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.96
Rot. Bonds7

About 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide

2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide (PubChem CID 15750284) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide
PubChem CID15750284
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide
SMILESCCCn1c(N)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C22H34N4O3/c1-3-5-25-19(23)18(20(28)26(6-4-2)21(25)29)24-17(27)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,3-13,23H2,1-2H3,(H,24,27)
InChIKeyOFXWKOQYOXNNPP-UHFFFAOYSA-N
XLogP2.96
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide (CID 15750284) is 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide is CCCn1c(N)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)n(CCC)c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide?
The InChIKey is OFXWKOQYOXNNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-3-5-25-19(23)18(20(28)26(6-4-2)21(25)29)24-17(27)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,3-13,23H2,1-2H3,(H,24,27).
What are the key properties of 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide?
2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide has a molecular weight of 402.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 15750284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).