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

C12H22N4O3 — CID 102699140

IUPAC6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)OC)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-6-16-10(13)9(14-7-8(2)19-4)11(17)15(3)12(16)18/h8,14H,5-7,13H2,1-4H3
InChIKeyZCGWMPAUHWDBCC-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.01
Rot. Bonds6

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

6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 102699140) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID102699140
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)OC)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-5-6-16-10(13)9(14-7-8(2)19-4)11(17)15(3)12(16)18/h8,14H,5-7,13H2,1-4H3
InChIKeyZCGWMPAUHWDBCC-UHFFFAOYSA-N
XLogP-0.01
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 107389812
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
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
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 106405156
6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 79246336
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115622855

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione (CID 102699140) is 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(C)OC)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ZCGWMPAUHWDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-5-6-16-10(13)9(14-7-8(2)19-4)11(17)15(3)12(16)18/h8,14H,5-7,13H2,1-4H3.
What are the key properties of 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 102699140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).