6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione

C14H19N5O2S — CID 17461084

IUPAC6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
SMILESC=CCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C14H19N5O2S/c1-4-6-16-13-17-9(8-22-13)10-11(15)19(7-5-2)14(21)18(3)12(10)20/h4,8H,1,5-7,15H2,2-3H3,(H,16,17)
InChIKeyBCMMVFBDYPTFLC-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.26
Rot. Bonds6

About 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione (PubChem CID 17461084) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
PubChem CID17461084
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
SMILESC=CCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C14H19N5O2S/c1-4-6-16-13-17-9(8-22-13)10-11(15)19(7-5-2)14(21)18(3)12(10)20/h4,8H,1,5-7,15H2,2-3H3,(H,16,17)
InChIKeyBCMMVFBDYPTFLC-UHFFFAOYSA-N
XLogP1.26
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione (CID 17461084) is 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione is C=CCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1.
What is the InChIKey of 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
The InChIKey is BCMMVFBDYPTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-4-6-16-13-17-9(8-22-13)10-11(15)19(7-5-2)14(21)18(3)12(10)20/h4,8H,1,5-7,15H2,2-3H3,(H,16,17).
What are the key properties of 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione has a molecular weight of 321.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 17461084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).