2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide

C20H31N7O3 — CID 55499124

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)CC(=O)Nc2ccnn2C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H31N7O3/c1-3-5-12-26-18(21)17(19(29)24-20(26)30)25(4-2)13-16(28)23-15-10-11-22-27(15)14-8-6-7-9-14/h10-11,14H,3-9,12-13,21H2,1-2H3,(H,23,28)(H,24,29,30)
InChIKeyXXEUCQOALWZQRO-UHFFFAOYSA-N
MW417.51 g/mol
LogP1.70
Rot. Bonds9

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 55499124) has the molecular formula C20H31N7O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID55499124
Molecular FormulaC20H31N7O3
Molecular Weight417.51 g/mol
Exact Mass417.25
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)CC(=O)Nc2ccnn2C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H31N7O3/c1-3-5-12-26-18(21)17(19(29)24-20(26)30)25(4-2)13-16(28)23-15-10-11-22-27(15)14-8-6-7-9-14/h10-11,14H,3-9,12-13,21H2,1-2H3,(H,23,28)(H,24,29,30)
InChIKeyXXEUCQOALWZQRO-UHFFFAOYSA-N
XLogP1.70
TPSA131.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-cyclohexylacetamide
CID 18136948
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide
CID 29467643
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 29467605
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3-fluorophenyl)acetamide
CID 18136953
2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683009
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 18136980
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55474465
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 36909911
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24595595
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202121
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 51645774

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 55499124) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide is CCCCn1c(N)c(N(CC)CC(=O)Nc2ccnn2C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is XXEUCQOALWZQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O3/c1-3-5-12-26-18(21)17(19(29)24-20(26)30)25(4-2)13-16(28)23-15-10-11-22-27(15)14-8-6-7-9-14/h10-11,14H,3-9,12-13,21H2,1-2H3,(H,23,28)(H,24,29,30).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55499124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).