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

C20H34N4O3 — CID 25162059

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide
SMILESCCCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O3/c1-4-5-11-23(16(25)12-15-9-7-6-8-10-15)17-18(21)24(13-14(2)3)20(27)22-19(17)26/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChIKeyTZMOCEWWJHWONB-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.88
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide (PubChem CID 25162059) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide
PubChem CID25162059
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide
SMILESCCCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O3/c1-4-5-11-23(16(25)12-15-9-7-6-8-10-15)17-18(21)24(13-14(2)3)20(27)22-19(17)26/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChIKeyTZMOCEWWJHWONB-UHFFFAOYSA-N
XLogP2.88
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide (CID 25162059) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide is CCCCN(C(=O)CC1CCCCC1)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]-N-butyl-2-cyclohexylacetamide?
The InChIKey is TZMOCEWWJHWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-4-5-11-23(16(25)12-15-9-7-6-8-10-15)17-18(21)24(13-14(2)3)20(27)22-19(17)26/h14-15H,4-13,21H2,1-3H3,(H,22,26,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide has a molecular weight of 378.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclohexylacetamide is sourced from PubChem (CID 25162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).