6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione

C11H16N4O2 — CID 60676346

IUPAC6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
SMILESC#CCNc1c(N)n(CCC)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O2/c1-4-6-13-8-9(12)15(7-5-2)11(17)14(3)10(8)16/h1,13H,5-7,12H2,2-3H3
InChIKeyMKCQJKNHRGEVBV-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.42
Rot. Bonds4

About 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione

6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione (PubChem CID 60676346) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
PubChem CID60676346
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
SMILESC#CCNc1c(N)n(CCC)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O2/c1-4-6-13-8-9(12)15(7-5-2)11(17)14(3)10(8)16/h1,13H,5-7,12H2,2-3H3
InChIKeyMKCQJKNHRGEVBV-UHFFFAOYSA-N
XLogP-0.42
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538
6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 106382042
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422
6-amino-1-butyl-5-(2,2-dimethylbutylamino)-3-methylpyrimidine-2,4-dione
CID 103462651
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60919883
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493
6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 61023824

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione (CID 60676346) is 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione is C#CCNc1c(N)n(CCC)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione?
The InChIKey is MKCQJKNHRGEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-6-13-8-9(12)15(7-5-2)11(17)14(3)10(8)16/h1,13H,5-7,12H2,2-3H3.
What are the key properties of 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione?
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60676346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).