N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide

C21H36N4O5 — CID 55755448

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)CCOCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C21H36N4O5/c1-4-5-10-25-19(22)18(20(27)23-21(25)28)24(11-8-15(2)3)17(26)9-13-29-14-16-7-6-12-30-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChIKeyQATFPNZJBBPKES-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.88
Rot. Bonds12

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55755448) has the molecular formula C21H36N4O5 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55755448
Molecular FormulaC21H36N4O5
Molecular Weight424.54 g/mol
Exact Mass424.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)CCOCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C21H36N4O5/c1-4-5-10-25-19(22)18(20(27)23-21(25)28)24(11-8-15(2)3)17(26)9-13-29-14-16-7-6-12-30-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChIKeyQATFPNZJBBPKES-UHFFFAOYSA-N
XLogP1.88
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylphenoxy)-N-(3-methylbutyl)propanamide
CID 35553555
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-methylbutyl)acetamide
CID 24816791
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-methoxyethyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 9093448
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(oxolan-2-yl)propanamide
CID 55605547
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 42999712
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 55882526
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55755418
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262599
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-cyclohexylpropanamide
CID 42999818
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
CID 18084090
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide (CID 55755448) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)CCOCC2CCCO2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is QATFPNZJBBPKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O5/c1-4-5-10-25-19(22)18(20(27)23-21(25)28)24(11-8-15(2)3)17(26)9-13-29-14-16-7-6-12-30-16/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)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 424.54 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55755448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).