2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione

C10H17N3O2 — CID 12008284

IUPAC2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCCCC1(CC)C(=O)N=C(N)NC1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-6-10(4-2)7(14)12-9(11)13-8(10)15/h3-6H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyMVQRCCMWJNYPNM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds4

About 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione

2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione (PubChem CID 12008284) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
PubChem CID12008284
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCCCC1(CC)C(=O)N=C(N)NC1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-6-10(4-2)7(14)12-9(11)13-8(10)15/h3-6H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyMVQRCCMWJNYPNM-UHFFFAOYSA-N
XLogP0.54
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium 5-(3-butylsulfanylpropyl)-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 23703939
5-ethyl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033572
sodium 5-butyl-5-(ethylsulfanylmethyl)-4,6-dioxo-1H-pyrimidin-2-olate
CID 23703920
5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 19911803
2-amino-4-hexyl-4-methyl-1H-imidazol-5-one
CID 82997984
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
sodium 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidine-2-thiolate
CID 90476454
sodium 5-ethyl-4,6-dioxo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate
CID 23703944
2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
CID 131091998
3-butyl-7-chloro-3-ethyl-1H-indol-2-one
CID 106702217
sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 137321503
4-amino-5-methyl-5-pentyl-1H-imidazol-2-one
CID 80560413

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione (CID 12008284) is 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione is CCCCC1(CC)C(=O)N=C(N)NC1=O.
What is the InChIKey of 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione?
The InChIKey is MVQRCCMWJNYPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-6-10(4-2)7(14)12-9(11)13-8(10)15/h3-6H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione?
2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 12008284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).