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

C12H17N5O2S — CID 61280838

IUPAC6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cnc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O2S/c1-3-4-17-10(13)9(11(18)16-12(17)19)15-6-8-5-14-7(2)20-8/h5,15H,3-4,6,13H2,1-2H3,(H,16,18,19)
InChIKeyUXKWUCNOGVORFU-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.91
Rot. Bonds5

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

6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 61280838) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID61280838
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cnc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O2S/c1-3-4-17-10(13)9(11(18)16-12(17)19)15-6-8-5-14-7(2)20-8/h5,15H,3-4,6,13H2,1-2H3,(H,16,18,19)
InChIKeyUXKWUCNOGVORFU-UHFFFAOYSA-N
XLogP0.91
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 61280838) is 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2cnc(C)s2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is UXKWUCNOGVORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-4-17-10(13)9(11(18)16-12(17)19)15-6-8-5-14-7(2)20-8/h5,15H,3-4,6,13H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 295.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61280838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).