6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione

C23H32N6O2 — CID 112808531

IUPAC6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCC(C)C)Cc2nc3ccccc3nc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N6O2/c1-5-6-12-29-21(24)20(22(30)27-23(29)31)28(13-11-15(2)3)14-19-16(4)25-17-9-7-8-10-18(17)26-19/h7-10,15H,5-6,11-14,24H2,1-4H3,(H,27,30,31)
InChIKeyMVHKIRGJFXNVNJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.22
Rot. Bonds9

About 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 112808531) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID112808531
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCC(C)C)Cc2nc3ccccc3nc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N6O2/c1-5-6-12-29-21(24)20(22(30)27-23(29)31)28(13-11-15(2)3)14-19-16(4)25-17-9-7-8-10-18(17)26-19/h7-10,15H,5-6,11-14,24H2,1-4H3,(H,27,30,31)
InChIKeyMVHKIRGJFXNVNJ-UHFFFAOYSA-N
XLogP3.22
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione
CID 71943511
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)-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 52896459
6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 18136975
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
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-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
6-amino-5-[benzyl-[2-(4-chlorophenyl)sulfonylethyl]amino]-1-butylpyrimidine-2,4-dione
CID 30871068
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-benzyl-N-ethylacetamide
CID 55591424
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426
6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 56550716

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione (CID 112808531) is 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CCC(C)C)Cc2nc3ccccc3nc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is MVHKIRGJFXNVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-5-6-12-29-21(24)20(22(30)27-23(29)31)28(13-11-15(2)3)14-19-16(4)25-17-9-7-8-10-18(17)26-19/h7-10,15H,5-6,11-14,24H2,1-4H3,(H,27,30,31).
What are the key properties of 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 424.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 112808531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).