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

C14H17BrN4O2 — CID 61401153

IUPAC6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17BrN4O2/c1-2-6-19-12(16)11(13(20)18-14(19)21)17-8-9-4-3-5-10(15)7-9/h3-5,7,17H,2,6,8,16H2,1H3,(H,18,20,21)
InChIKeyWLBMQIIVMBSMQM-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.90
Rot. Bonds5

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

6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 61401153) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID61401153
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17BrN4O2/c1-2-6-19-12(16)11(13(20)18-14(19)21)17-8-9-4-3-5-10(15)7-9/h3-5,7,17H,2,6,8,16H2,1H3,(H,18,20,21)
InChIKeyWLBMQIIVMBSMQM-UHFFFAOYSA-N
XLogP1.90
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965294
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
CID 63312031
6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965303
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-benzyl-5-(benzylamino)pyrimidine-2,4-dione
CID 2344558
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
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
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103704539

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione (CID 61401153) is 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2cccc(Br)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is WLBMQIIVMBSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-2-6-19-12(16)11(13(20)18-14(19)21)17-8-9-4-3-5-10(15)7-9/h3-5,7,17H,2,6,8,16H2,1H3,(H,18,20,21).
What are the key properties of 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 353.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61401153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).