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

C12H15BrN4O2S — CID 60965294

IUPAC6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cc(Br)cs2)c(=O)[nH]c1=O
InChIInChI=1S/C12H15BrN4O2S/c1-2-3-17-10(14)9(11(18)16-12(17)19)15-5-8-4-7(13)6-20-8/h4,6,15H,2-3,5,14H2,1H3,(H,16,18,19)
InChIKeyTVXHREAKIQBDSN-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.96
Rot. Bonds5

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

6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 60965294) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID60965294
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cc(Br)cs2)c(=O)[nH]c1=O
InChIInChI=1S/C12H15BrN4O2S/c1-2-3-17-10(14)9(11(18)16-12(17)19)15-5-8-4-7(13)6-20-8/h4,6,15H,2-3,5,14H2,1H3,(H,16,18,19)
InChIKeyTVXHREAKIQBDSN-UHFFFAOYSA-N
XLogP1.96
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 61401153
6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103704539
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
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-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione
CID 60966171
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 60965294) is 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2cc(Br)cs2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is TVXHREAKIQBDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-2-3-17-10(14)9(11(18)16-12(17)19)15-5-8-4-7(13)6-20-8/h4,6,15H,2-3,5,14H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 359.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60965294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).