5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine

C13H16BrN3OS — CID 106997660

IUPAC5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
SMILESCCCC(Nc1ncc(Br)c(OC)n1)c1cccs1
InChIInChI=1S/C13H16BrN3OS/c1-3-5-10(11-6-4-7-19-11)16-13-15-8-9(14)12(17-13)18-2/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyRVMQUJNLXNPDDX-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.26
Rot. Bonds6

About 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine (PubChem CID 106997660) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
PubChem CID106997660
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
SMILESCCCC(Nc1ncc(Br)c(OC)n1)c1cccs1
InChIInChI=1S/C13H16BrN3OS/c1-3-5-10(11-6-4-7-19-11)16-13-15-8-9(14)12(17-13)18-2/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyRVMQUJNLXNPDDX-UHFFFAOYSA-N
XLogP4.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
CID 80897742
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
CID 104776938
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80783214
1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
CID 106999965
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
CID 106999864
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine (CID 106997660) is 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine is CCCC(Nc1ncc(Br)c(OC)n1)c1cccs1.
What is the InChIKey of 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
The InChIKey is RVMQUJNLXNPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-3-5-10(11-6-4-7-19-11)16-13-15-8-9(14)12(17-13)18-2/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine has a molecular weight of 342.26 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 106997660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).