N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide

C20H35N5O3 — CID 27131775

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide
SMILESCCCCN(C(=O)CN1CCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O3/c1-4-5-12-24(16(26)14-23-10-8-6-7-9-11-23)17-18(21)25(13-15(2)3)20(28)22-19(17)27/h15H,4-14,21H2,1-3H3,(H,22,27,28)
InChIKeyFFGQQPPPEOMEPC-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.78
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide (PubChem CID 27131775) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide
PubChem CID27131775
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide
SMILESCCCCN(C(=O)CN1CCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O3/c1-4-5-12-24(16(26)14-23-10-8-6-7-9-11-23)17-18(21)25(13-15(2)3)20(28)22-19(17)27/h15H,4-14,21H2,1-3H3,(H,22,27,28)
InChIKeyFFGQQPPPEOMEPC-UHFFFAOYSA-N
XLogP1.78
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide (CID 27131775) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide is CCCCN(C(=O)CN1CCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide?
The InChIKey is FFGQQPPPEOMEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-4-5-12-24(16(26)14-23-10-8-6-7-9-11-23)17-18(21)25(13-15(2)3)20(28)22-19(17)27/h15H,4-14,21H2,1-3H3,(H,22,27,28).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide has a molecular weight of 393.53 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-butylacetamide is sourced from PubChem (CID 27131775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).