6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione

C16H28N4O2 — CID 71943511

IUPAC6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione
SMILESC=CCN(CCC(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N4O2/c1-5-7-10-20-14(17)13(15(21)18-16(20)22)19(9-6-2)11-8-12(3)4/h6,12H,2,5,7-11,17H2,1,3-4H3,(H,18,21,22)
InChIKeyBWNAHZYSKDTUQY-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.96
Rot. Bonds9

About 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione (PubChem CID 71943511) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione
PubChem CID71943511
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione
SMILESC=CCN(CCC(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C16H28N4O2/c1-5-7-10-20-14(17)13(15(21)18-16(20)22)19(9-6-2)11-8-12(3)4/h6,12H,2,5,7-11,17H2,1,3-4H3,(H,18,21,22)
InChIKeyBWNAHZYSKDTUQY-UHFFFAOYSA-N
XLogP1.96
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 112808531
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55504507
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)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
CID 26185365
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide
CID 78904288
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 55591122
6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
CID 61146393
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,6-dichloro-N-(3-methylbutyl)pyridine-2-carboxamide
CID 75448043

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione (CID 71943511) is 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione is C=CCN(CCC(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione?
The InChIKey is BWNAHZYSKDTUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-7-10-20-14(17)13(15(21)18-16(20)22)19(9-6-2)11-8-12(3)4/h6,12H,2,5,7-11,17H2,1,3-4H3,(H,18,21,22).
What are the key properties of 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione has a molecular weight of 308.43 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 71943511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).