1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea

C16H24N4O3 — CID 138030077

IUPAC1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea
SMILESCCC1CCCC1NC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O3/c1-2-10-4-3-5-13(10)18-15(22)17-8-11-9-20(12-6-7-12)16(23)19-14(11)21/h9-10,12-13H,2-8H2,1H3,(H2,17,18,22)(H,19,21,23)
InChIKeyQAHLZHGQZTZNNY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.25
Rot. Bonds5

About 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea

1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea (PubChem CID 138030077) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea
PubChem CID138030077
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea
SMILESCCC1CCCC1NC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O3/c1-2-10-4-3-5-13(10)18-15(22)17-8-11-9-20(12-6-7-12)16(23)19-14(11)21/h9-10,12-13H,2-8H2,1H3,(H2,17,18,22)(H,19,21,23)
InChIKeyQAHLZHGQZTZNNY-UHFFFAOYSA-N
XLogP1.25
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea?
The IUPAC name of 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea (CID 138030077) is 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea.
What is the SMILES notation for 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea?
The canonical SMILES for 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea is CCC1CCCC1NC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea?
The InChIKey is QAHLZHGQZTZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-10-4-3-5-13(10)18-15(22)17-8-11-9-20(12-6-7-12)16(23)19-14(11)21/h9-10,12-13H,2-8H2,1H3,(H2,17,18,22)(H,19,21,23).
What are the key properties of 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea?
1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea has a molecular weight of 320.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-3-(2-ethylcyclopentyl)urea is sourced from PubChem (CID 138030077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).