6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione

C13H19N5O2S — CID 103704539

IUPAC6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2ncc(CC)s2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N5O2S/c1-3-5-18-11(14)10(12(19)17-13(18)20)16-7-9-15-6-8(4-2)21-9/h6,16H,3-5,7,14H2,1-2H3,(H,17,19,20)
InChIKeyUHYGEVCVYUCHKF-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.16
Rot. Bonds6

About 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 103704539) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID103704539
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2ncc(CC)s2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N5O2S/c1-3-5-18-11(14)10(12(19)17-13(18)20)16-7-9-15-6-8(4-2)21-9/h6,16H,3-5,7,14H2,1-2H3,(H,17,19,20)
InChIKeyUHYGEVCVYUCHKF-UHFFFAOYSA-N
XLogP1.16
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965303
6-amino-1-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103703856
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965294
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 61401153
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-1-butyl-5-(1H-pyrazol-4-ylmethylamino)pyrimidine-2,4-dione
CID 61000399
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 103704539) is 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2ncc(CC)s2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is UHYGEVCVYUCHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-5-18-11(14)10(12(19)17-13(18)20)16-7-9-15-6-8(4-2)21-9/h6,16H,3-5,7,14H2,1-2H3,(H,17,19,20).
What are the key properties of 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103704539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).