6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione

C13H22N4O4 — CID 61023824

IUPAC6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2COCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O4/c1-3-4-17-11(14)10(12(18)16(2)13(17)19)15-7-9-8-20-5-6-21-9/h9,15H,3-8,14H2,1-2H3
InChIKeySQBMALGQZZPJSE-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.63
Rot. Bonds5

About 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 61023824) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID61023824
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2COCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O4/c1-3-4-17-11(14)10(12(18)16(2)13(17)19)15-7-9-8-20-5-6-21-9/h9,15H,3-8,14H2,1-2H3
InChIKeySQBMALGQZZPJSE-UHFFFAOYSA-N
XLogP-0.63
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
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-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60919883
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
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione
CID 115637540
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione (CID 61023824) is 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC2COCCO2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is SQBMALGQZZPJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-3-4-17-11(14)10(12(18)16(2)13(17)19)15-7-9-8-20-5-6-21-9/h9,15H,3-8,14H2,1-2H3.
What are the key properties of 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 298.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61023824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).