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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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).