N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide

C20H34N4O3 — CID 24686446

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O3/c1-4-5-11-23-18(21)17(19(26)22-20(23)27)24(13-14(2)3)16(25)12-15-9-7-6-8-10-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChIKeyBOSBMGZSHNHNOV-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.88
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide (PubChem CID 24686446) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide
PubChem CID24686446
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O3/c1-4-5-11-23-18(21)17(19(26)22-20(23)27)24(13-14(2)3)16(25)12-15-9-7-6-8-10-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChIKeyBOSBMGZSHNHNOV-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-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide (CID 24686446) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide?
The InChIKey is BOSBMGZSHNHNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-4-5-11-23-18(21)17(19(26)22-20(23)27)24(13-14(2)3)16(25)12-15-9-7-6-8-10-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide 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-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24686446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).