N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide

C16H26N4O4 — CID 4820691

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O4/c1-3-8-20-13(17)12(14(21)18-16(20)23)19(9-10-24-2)15(22)11-6-4-5-7-11/h11H,3-10,17H2,1-2H3,(H,18,21,23)
InChIKeyXNLIDGOSGRRNIF-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.70
Rot. Bonds7

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide (PubChem CID 4820691) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
PubChem CID4820691
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O4/c1-3-8-20-13(17)12(14(21)18-16(20)23)19(9-10-24-2)15(22)11-6-4-5-7-11/h11H,3-10,17H2,1-2H3,(H,18,21,23)
InChIKeyXNLIDGOSGRRNIF-UHFFFAOYSA-N
XLogP0.70
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide (CID 4820691) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide is CCCn1c(N)c(N(CCOC)C(=O)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide?
The InChIKey is XNLIDGOSGRRNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-3-8-20-13(17)12(14(21)18-16(20)23)19(9-10-24-2)15(22)11-6-4-5-7-11/h11H,3-10,17H2,1-2H3,(H,18,21,23).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide is sourced from PubChem (CID 4820691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).