N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide

C21H36N4O3 — CID 18084101

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H36N4O3/c1-4-5-13-24-19(22)18(20(27)23-21(24)28)25(14-15(2)3)17(26)12-11-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChIKeyBLCIEWWQORHBMQ-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.27
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide (PubChem CID 18084101) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide
PubChem CID18084101
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H36N4O3/c1-4-5-13-24-19(22)18(20(27)23-21(24)28)25(14-15(2)3)17(26)12-11-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChIKeyBLCIEWWQORHBMQ-UHFFFAOYSA-N
XLogP3.27
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.27
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)-3-cyclohexyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide (CID 18084101) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide is CCCCn1c(N)c(N(CC(C)C)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide?
The InChIKey is BLCIEWWQORHBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-4-5-13-24-19(22)18(20(27)23-21(24)28)25(14-15(2)3)17(26)12-11-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide has a molecular weight of 392.54 g/mol, XLogP of 3.27, 9 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)-3-cyclohexyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 18084101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).