2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide

C20H34N6O4 — CID 8694990

IUPAC2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCCCCn1c(N)c(N(C(=O)CN(C)CC(=O)N(C)C)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N6O4/c1-5-6-11-25-18(21)17(19(29)22-20(25)30)26(14-9-7-8-10-14)16(28)13-24(4)12-15(27)23(2)3/h14H,5-13,21H2,1-4H3,(H,22,29,30)
InChIKeyXESPMYDSWQEGGQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP0.21
Rot. Bonds9

About 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide

2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 8694990) has the molecular formula C20H34N6O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
PubChem CID8694990
Molecular FormulaC20H34N6O4
Molecular Weight422.53 g/mol
Exact Mass422.26
IUPAC Name2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCCCCn1c(N)c(N(C(=O)CN(C)CC(=O)N(C)C)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N6O4/c1-5-6-11-25-18(21)17(19(29)22-20(25)30)26(14-9-7-8-10-14)16(28)13-24(4)12-15(27)23(2)3/h14H,5-13,21H2,1-4H3,(H,22,29,30)
InChIKeyXESPMYDSWQEGGQ-UHFFFAOYSA-N
XLogP0.21
TPSA124.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (CID 8694990) is 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is CCCCn1c(N)c(N(C(=O)CN(C)CC(=O)N(C)C)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is XESPMYDSWQEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O4/c1-5-6-11-25-18(21)17(19(29)22-20(25)30)26(14-9-7-8-10-14)16(28)13-24(4)12-15(27)23(2)3/h14H,5-13,21H2,1-4H3,(H,22,29,30).
What are the key properties of 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 422.53 g/mol, XLogP of 0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 8694990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).