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

C13H23N5O2 — CID 115279386

IUPAC6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NN2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-3-7-18-11(14)10(12(19)16(2)13(18)20)15-17-8-5-4-6-9-17/h15H,3-9,14H2,1-2H3
InChIKeyOXWAUDWQDNITBI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.35
Rot. Bonds4

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

6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 115279386) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
PubChem CID115279386
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NN2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-3-7-18-11(14)10(12(19)16(2)13(18)20)15-17-8-5-4-6-9-17/h15H,3-9,14H2,1-2H3
InChIKeyOXWAUDWQDNITBI-UHFFFAOYSA-N
XLogP0.35
TPSA85.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
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-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60919883
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 61023824
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 79246336
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione (CID 115279386) is 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NN2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is OXWAUDWQDNITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-7-18-11(14)10(12(19)16(2)13(18)20)15-17-8-5-4-6-9-17/h15H,3-9,14H2,1-2H3.
What are the key properties of 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 115279386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).