1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione

C14H20N4O2S — CID 79760792

IUPAC1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ncc(Cn2c(=O)ccn(CCC)c2=O)s1
InChIInChI=1S/C14H20N4O2S/c1-3-6-15-13-16-9-11(21-13)10-18-12(19)5-8-17(7-4-2)14(18)20/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,15,16)
InChIKeyZGIXZZKTOVLGDP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.75
Rot. Bonds7

About 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione

1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione (PubChem CID 79760792) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
PubChem CID79760792
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1ncc(Cn2c(=O)ccn(CCC)c2=O)s1
InChIInChI=1S/C14H20N4O2S/c1-3-6-15-13-16-9-11(21-13)10-18-12(19)5-8-17(7-4-2)14(18)20/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,15,16)
InChIKeyZGIXZZKTOVLGDP-UHFFFAOYSA-N
XLogP1.75
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione (CID 79760792) is 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione is CCCNc1ncc(Cn2c(=O)ccn(CCC)c2=O)s1.
What is the InChIKey of 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is ZGIXZZKTOVLGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-6-15-13-16-9-11(21-13)10-18-12(19)5-8-17(7-4-2)14(18)20/h5,8-9H,3-4,6-7,10H2,1-2H3,(H,15,16).
What are the key properties of 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione?
1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 308.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79760792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).