6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione

C13H24N4O2 — CID 115613195

IUPAC6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(CC)CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-4-7-17-11(14)10(12(18)16-13(17)19)15-8-9(5-2)6-3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)
InChIKeyJELKQRVOJFVILF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.38
Rot. Bonds7

About 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 115613195) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
PubChem CID115613195
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(CC)CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-4-7-17-11(14)10(12(18)16-13(17)19)15-8-9(5-2)6-3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)
InChIKeyJELKQRVOJFVILF-UHFFFAOYSA-N
XLogP1.38
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 63967441
6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
6-amino-5-(hexan-3-ylamino)-1-propylpyrimidine-2,4-dione
CID 62046800
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione (CID 115613195) is 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(CC)CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is JELKQRVOJFVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-7-17-11(14)10(12(18)16-13(17)19)15-8-9(5-2)6-3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19).
What are the key properties of 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 115613195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).